1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol

C17H28N2O — CID 115729123

IUPAC1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
SMILESCCC(O)CCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-17(20)10-11-18-16-9-6-12-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,20H,2,6,9-14H2,1H3
InChIKeyWWYNEKGUCYFNRF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.40
Rot. Bonds7

About 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol

1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol (PubChem CID 115729123) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
PubChem CID115729123
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
SMILESCCC(O)CCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H28N2O/c1-2-17(20)10-11-18-16-9-6-12-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,20H,2,6,9-14H2,1H3
InChIKeyWWYNEKGUCYFNRF-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
CID 64593174
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
CID 66044031
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399779
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol (CID 115729123) is 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol is CCC(O)CCNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol?
The InChIKey is WWYNEKGUCYFNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-17(20)10-11-18-16-9-6-12-19(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16-18,20H,2,6,9-14H2,1H3.
What are the key properties of 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol?
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol has a molecular weight of 276.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol is sourced from PubChem (CID 115729123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).