2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol

C16H26N2O — CID 103904032

IUPAC2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-16(2,13-19)12-17-14-8-10-18(11-9-14)15-6-4-3-5-7-15/h3-7,14,17,19H,8-13H2,1-2H3
InChIKeyUSPWIFUHSOFYSF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds5

About 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol

2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 103904032) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
PubChem CID103904032
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H26N2O/c1-16(2,13-19)12-17-14-8-10-18(11-9-14)15-6-4-3-5-7-15/h3-7,14,17,19H,8-13H2,1-2H3
InChIKeyUSPWIFUHSOFYSF-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxy-2-methylpropyl)-1-phenylpiperidin-4-amine
CID 102613559
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
2,2-dimethyl-4-[(1-phenylpiperidin-4-yl)amino]butanoic acid
CID 122127131
N-but-2-ynyl-1-phenylpiperidin-4-amine
CID 103905898
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
N-[(2-methylcyclopropyl)methyl]-1-phenylpiperidin-4-amine
CID 103779083
4-methyl-1-[(1-phenylpiperidin-4-yl)amino]pentan-2-ol
CID 103779736
1-[[(1-phenylpiperidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103783455
2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
CID 65108384
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
3-hydroxy-3-phenyl-N-(1-phenylpiperidin-4-yl)butanamide
CID 86785833

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol (CID 103904032) is 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol is CC(C)(CO)CNC1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is USPWIFUHSOFYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,13-19)12-17-14-8-10-18(11-9-14)15-6-4-3-5-7-15/h3-7,14,17,19H,8-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol?
2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-phenylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 103904032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).