3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol

C17H27ClN2O — CID 45216821

IUPAC3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H27ClN2O/c1-17(2,13-21)12-19-16-4-3-9-20(11-16)10-14-5-7-15(18)8-6-14/h5-8,16,19,21H,3-4,9-13H2,1-2H3
InChIKeyLMGDBAGAWIDJBJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.91
Rot. Bonds6

About 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol

3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 45216821) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID45216821
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H27ClN2O/c1-17(2,13-21)12-19-16-4-3-9-20(11-16)10-14-5-7-15(18)8-6-14/h5-8,16,19,21H,3-4,9-13H2,1-2H3
InChIKeyLMGDBAGAWIDJBJ-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992190
2-[[(1-benzylpiperidin-3-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399779
1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidin-3-amine
CID 83995651
(3R)-1-[(4-chlorophenyl)methyl]-N-(2,2-dimethylpropyl)piperidine-3-carboxamide
CID 100777778
N-tert-butyl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43918460
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
3-[(1-benzylpiperidin-3-yl)amino]-2-methylpropan-1-ol
CID 65032022
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
[1-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 170164675

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol (CID 45216821) is 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is LMGDBAGAWIDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-17(2,13-21)12-19-16-4-3-9-20(11-16)10-14-5-7-15(18)8-6-14/h5-8,16,19,21H,3-4,9-13H2,1-2H3.
What are the key properties of 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 310.87 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 45216821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).