N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium

C89H187N17O+2 — CID 160680779

IUPACN,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium
SMILESCC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(N=C(N)N)CC1.CC(C)N1CCC([N+](C)(C)C)CC1.CC(C)N1CCC([N+]2(C)CCCC2)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N2.C13H26N2.C12H24N2O.C12H24N2.C11H25N2.C10H22N2.C9H20N4.C9H19N/c1-12(2)14-8-6-13(7-9-14)15(3)10-4-5-11-15;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)12-8-6-11(7-9-12)13(3,4)5;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)13-5-3-8(4-6-13)12-9(10)11;1-8(2)10-6-4-9(3)5-7-10/h12-13H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H4,10,11,12);8-9H,4-7H2,1-3H3/q+1;;;;+1;;;
InChIKeyHCHCJSSZZWYODE-UHFFFAOYSA-N
MW1511.59 g/mol
LogP12.84
Rot. Bonds15

About N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium

N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium (PubChem CID 160680779) has the molecular formula C89H187N17O+2 and a molecular weight of 1511.59 g/mol. Its IUPAC name is N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium.

Molecular Properties

Compound NameN,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium
PubChem CID160680779
Molecular FormulaC89H187N17O+2
Molecular Weight1511.59 g/mol
Exact Mass1510.51
IUPAC NameN,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium
SMILESCC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(N=C(N)N)CC1.CC(C)N1CCC([N+](C)(C)C)CC1.CC(C)N1CCC([N+]2(C)CCCC2)CC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C13H27N2.C13H26N2.C12H24N2O.C12H24N2.C11H25N2.C10H22N2.C9H20N4.C9H19N/c1-12(2)14-8-6-13(7-9-14)15(3)10-4-5-11-15;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)12-8-6-11(7-9-12)13(3,4)5;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)13-5-3-8(4-6-13)12-9(10)11;1-8(2)10-6-4-9(3)5-7-10/h12-13H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H4,10,11,12);8-9H,4-7H2,1-3H3/q+1;;;;+1;;;
InChIKeyHCHCJSSZZWYODE-UHFFFAOYSA-N
XLogP12.84
TPSA112.51 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.59
LogP ≤ 512.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
The IUPAC name of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium (CID 160680779) is N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium.
What is the SMILES notation for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
The canonical SMILES for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium is CC(C)N1CCC(N(C)C)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCC(N=C(N)N)CC1.CC(C)N1CCC([N+](C)(C)C)CC1.CC(C)N1CCC([N+]2(C)CCCC2)CC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
The InChIKey is HCHCJSSZZWYODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N2.C13H26N2.C12H24N2O.C12H24N2.C11H25N2.C10H22N2.C9H20N4.C9H19N/c1-12(2)14-8-6-13(7-9-14)15(3)10-4-5-11-15;1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-10(2)12-8-6-11(7-9-12)13(3,4)5;1-9(2)12-7-5-10(6-8-12)11(3)4;1-7(2)13-5-3-8(4-6-13)12-9(10)11;1-8(2)10-6-4-9(3)5-7-10/h12-13H,4-11H2,1-3H3;12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;11-12H,3-10H2,1-2H3;10-11H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;7-8H,3-6H2,1-2H3,(H4,10,11,12);8-9H,4-7H2,1-3H3/q+1;;;;+1;;;.
What are the key properties of N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium?
N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium has a molecular weight of 1511.59 g/mol, XLogP of 12.84, 15 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;4-methyl-1-propan-2-ylpiperidine;4-(1-methylpyrrolidin-1-ium-1-yl)-1-propan-2-ylpiperidine;4-piperidin-1-yl-1-propan-2-ylpiperidine;2-(1-propan-2-ylpiperidin-4-yl)guanidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;trimethyl-(1-propan-2-ylpiperidin-4-yl)azanium is sourced from PubChem (CID 160680779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).