3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol

C18H30N2O — CID 114356541

IUPAC3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-2-6-17(19)18(14-21)20-11-9-16(10-12-20)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,2,6,9-14,19H2,1H3
InChIKeyFJMPBNRHUUXTSV-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.43
Rot. Bonds7

About 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol

3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol (PubChem CID 114356541) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol
PubChem CID114356541
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol
SMILESCCCC(N)C(CO)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-2-6-17(19)18(14-21)20-11-9-16(10-12-20)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,2,6,9-14,19H2,1H3
InChIKeyFJMPBNRHUUXTSV-UHFFFAOYSA-N
XLogP2.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103495144
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
2-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 83052069
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
3-amino-2-(3,4-dimethylpiperidin-1-yl)hexan-1-ol
CID 114357638
2-(4-benzylpiperidin-1-yl)propan-1-amine
CID 16642433
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)hexan-1-one
CID 103830858
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-benzylpiperidin-1-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110023755
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
[(2S)-1-amino-1-oxopropan-2-yl] (2R)-2-(4-benzylpiperidin-1-yl)propanoate
CID 95309429
[(4-benzylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
CID 14966653

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol?
The IUPAC name of 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol (CID 114356541) is 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol.
What is the SMILES notation for 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol?
The canonical SMILES for 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol is CCCC(N)C(CO)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol?
The InChIKey is FJMPBNRHUUXTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-6-17(19)18(14-21)20-11-9-16(10-12-20)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,2,6,9-14,19H2,1H3.
What are the key properties of 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol?
3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-benzylpiperidin-1-yl)hexan-1-ol is sourced from PubChem (CID 114356541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).