1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

C18H36N2O2 — CID 110932791

IUPAC1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCC(CN2CCCCCC2)C1
InChIInChI=1S/C18H36N2O2/c1-16(2)22-15-18(21)14-20-11-7-8-17(13-20)12-19-9-5-3-4-6-10-19/h16-18,21H,3-15H2,1-2H3
InChIKeySZKSKHCMASTSHL-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.36
Rot. Bonds7

About 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 110932791) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID110932791
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCCC(CN2CCCCCC2)C1
InChIInChI=1S/C18H36N2O2/c1-16(2)22-15-18(21)14-20-11-7-8-17(13-20)12-19-9-5-3-4-6-10-19/h16-18,21H,3-15H2,1-2H3
InChIKeySZKSKHCMASTSHL-UHFFFAOYSA-N
XLogP2.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111165897
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110910993
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate
CID 79038191
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 111422240
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
(2R)-1-methoxy-3-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-2-ol
CID 98764196
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 110932791) is 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCCC(CN2CCCCCC2)C1.
What is the InChIKey of 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is SZKSKHCMASTSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-16(2)22-15-18(21)14-20-11-7-8-17(13-20)12-19-9-5-3-4-6-10-19/h16-18,21H,3-15H2,1-2H3.
What are the key properties of 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 312.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 110932791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).