1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol

C38H81N7O — CID 158924340

IUPAC1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1CCN(C)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C13H27N3.C9H19N.C8H18N2.C8H17NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3
InChIKeyJIFVUKWNGDVXBD-UHFFFAOYSA-N
MW652.11 g/mol
LogP4.58
Rot. Bonds5

About 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol

1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol (PubChem CID 158924340) has the molecular formula C38H81N7O and a molecular weight of 652.11 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol
PubChem CID158924340
Molecular FormulaC38H81N7O
Molecular Weight652.11 g/mol
Exact Mass651.65
IUPAC Name1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1CCN(C)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1
InChIInChI=1S/C13H27N3.C9H19N.C8H18N2.C8H17NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3
InChIKeyJIFVUKWNGDVXBD-UHFFFAOYSA-N
XLogP4.58
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.11
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1,5-dimethylpiperidin-4-ol;bis((3S,5R)-1,5-dimethylpiperidin-3-amine);ethane;bis((3S)-1-methylpiperidin-3-amine)
CID 157140155
1-Ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol
CID 158054707
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
CID 158274179
1-Tert-butyl-4-(4-methylpiperidin-1-yl)piperidine;1-(1-tert-butylpiperidin-4-yl)piperidin-4-ol
CID 158605567
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
CID 158769273
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine
CID 158835019
1,4-Di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);1-propan-2-yl-4-propan-2-yloxypiperidine
CID 158856287
2-[Methyl(propan-2-yl)amino]ethanol;1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidin-4-ol;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpiperidin-4-ol
CID 159032777
tris(1,4-dimethylpiperidine);(3S)-1,3-dimethylpiperidine;bis(4-ethyl-1-methylpiperidine);1-methylpiperidin-3-ol;1-methyl-4-propylpiperazine;1-methyl-4-propylpiperidine;1-methyl-4-pyrrolidin-1-ylpiperidine
CID 159745660
3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine
CID 159826327
3-amino-1-tert-butyl-5-methylpiperidin-4-ol;3-amino-1-tert-butylpiperidin-4-ol;bis(1-tert-butyl-5-methylpiperidin-3-amine);1-tert-butylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine
CID 160017802
(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
CID 160172279

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol (CID 158924340) is 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol is CC(C)C1CCN(C)CC1.CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol?
The InChIKey is JIFVUKWNGDVXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C9H19N.C8H18N2.C8H17NO/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9/h12-13H,4-11H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol?
1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol has a molecular weight of 652.11 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 158924340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).