1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol

C17H29N3O — CID 64593174

IUPAC1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O/c1-19(2)14-17(21)11-18-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,6,9-14H2,1-2H3
InChIKeyKOKPBHITEUQPDH-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.16
Rot. Bonds7

About 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol

1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol (PubChem CID 64593174) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
PubChem CID64593174
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)CNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H29N3O/c1-19(2)14-17(21)11-18-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,6,9-14H2,1-2H3
InChIKeyKOKPBHITEUQPDH-UHFFFAOYSA-N
XLogP1.16
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 113222340
1-benzyl-N-(2-methylsulfanylpropyl)piperidin-3-amine
CID 115895502
1-benzyl-N-(2-methyl-3-methylsulfanylpropyl)piperidin-3-amine
CID 63983866
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(2-methylidenebutyl)piperidin-3-amine
CID 66044031
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol (CID 64593174) is 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol is CN(C)CC(O)CNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol?
The InChIKey is KOKPBHITEUQPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19(2)14-17(21)11-18-16-9-6-10-20(13-16)12-15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,6,9-14H2,1-2H3.
What are the key properties of 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol?
1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-3-yl)amino]-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 64593174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).