tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine

C81H170N14O5 — CID 158091013

IUPACtert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(C)C(=O)N1CCC(N(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC1CN(C(C)C)CC(C)O1
InChIInChI=1S/C12H24N2O2.C12H24N2O.C11H22N2O.C11H24N2.C10H22N2.C9H19NO.C8H18N2.C8H17N/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-9(2)11(14)13-7-5-10(6-8-13)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h10H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyFOCFIANPJMSKIR-UHFFFAOYSA-N
MW1420.34 g/mol
LogP11.45
Rot. Bonds13

About tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine

tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine (PubChem CID 158091013) has the molecular formula C81H170N14O5 and a molecular weight of 1420.34 g/mol. Its IUPAC name is tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Nametert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
PubChem CID158091013
Molecular FormulaC81H170N14O5
Molecular Weight1420.34 g/mol
Exact Mass1419.35
IUPAC Nametert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(C)C(=O)N1CCC(N(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC1CN(C(C)C)CC(C)O1
InChIInChI=1S/C12H24N2O2.C12H24N2O.C11H22N2O.C11H24N2.C10H22N2.C9H19NO.C8H18N2.C8H17N/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-9(2)11(14)13-7-5-10(6-8-13)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h10H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyFOCFIANPJMSKIR-UHFFFAOYSA-N
XLogP11.45
TPSA107.19 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001420.34
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The IUPAC name of tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine (CID 158091013) is tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The canonical SMILES for tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine is CC(C)C(=O)N1CCC(N(C)C)CC1.CC(C)CN1CCN(C(C)C)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCN(C(=O)OC(C)(C)C)CC1.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(C)CC1.CC1CN(C(C)C)CC(C)O1.
What is the InChIKey of tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The InChIKey is FOCFIANPJMSKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C12H24N2O.C11H22N2O.C11H24N2.C10H22N2.C9H19NO.C8H18N2.C8H17N/c1-10(2)13-6-8-14(9-7-13)11(15)16-12(3,4)5;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-9(2)11(14)13-7-5-10(6-8-13)12(3)4;1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)10-5-8(3)11-9(4)6-10;1-8(2)10-6-4-9(3)5-7-10;1-8(2)9-6-4-3-5-7-9/h10H,6-9H2,1-5H3;11-12H,3-10H2,1-2H3;9-10H,5-8H2,1-4H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8H,4-7H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine has a molecular weight of 1420.34 g/mol, XLogP of 11.45, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-propan-2-ylpiperazine-1-carboxylate;1-[4-(dimethylamino)piperidin-1-yl]-2-methylpropan-1-one;2,6-dimethyl-4-propan-2-ylmorpholine;1,4-di(propan-2-yl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-(2-methylpropyl)-4-propan-2-ylpiperazine;1-propan-2-ylpiperidine;4-(1-propan-2-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 158091013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).