4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol

C17H28N2O — CID 165448564

IUPAC4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol
SMILESCCCC(CN)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-2-6-16(13-18)17(20)9-11-19(12-10-17)14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14,18H2,1H3
InChIKeyHAIZILGNUQAUAD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.39
Rot. Bonds6

About 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol

4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol (PubChem CID 165448564) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol.

Molecular Properties

Compound Name4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol
PubChem CID165448564
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol
SMILESCCCC(CN)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-2-6-16(13-18)17(20)9-11-19(12-10-17)14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14,18H2,1H3
InChIKeyHAIZILGNUQAUAD-UHFFFAOYSA-N
XLogP2.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
4-(1-phenylpentan-2-yl)piperidin-4-ol
CID 70117734
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol?
The IUPAC name of 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol (CID 165448564) is 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol.
What is the SMILES notation for 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol?
The canonical SMILES for 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol is CCCC(CN)C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol?
The InChIKey is HAIZILGNUQAUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-6-16(13-18)17(20)9-11-19(12-10-17)14-15-7-4-3-5-8-15/h3-5,7-8,16,20H,2,6,9-14,18H2,1H3.
What are the key properties of 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol?
4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol has a molecular weight of 276.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol is sourced from PubChem (CID 165448564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).