[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol

C17H27ClN2O — CID 114847855

IUPAC[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
SMILESCC(C)(C)NCc1cc(Cl)ccc1N1CCC(CO)CC1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-11-14-10-15(18)4-5-16(14)20-8-6-13(12-21)7-9-20/h4-5,10,13,19,21H,6-9,11-12H2,1-3H3
InChIKeyJCDSBZRFNWHNTG-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.44
Rot. Bonds4

About [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol

[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol (PubChem CID 114847855) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
PubChem CID114847855
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
SMILESCC(C)(C)NCc1cc(Cl)ccc1N1CCC(CO)CC1
InChIInChI=1S/C17H27ClN2O/c1-17(2,3)19-11-14-10-15(18)4-5-16(14)20-8-6-13(12-21)7-9-20/h4-5,10,13,19,21H,6-9,11-12H2,1-3H3
InChIKeyJCDSBZRFNWHNTG-UHFFFAOYSA-N
XLogP3.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol 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

N-[[5-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 103535772
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114852910
N-[[4-chloro-2-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114848126
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114851241
N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060090
N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114847339
2-[1-[2-[(tert-butylamino)methyl]-4-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 114798666
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112624254
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011365
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851678

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol (CID 114847855) is [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol is CC(C)(C)NCc1cc(Cl)ccc1N1CCC(CO)CC1.
What is the InChIKey of [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol?
The InChIKey is JCDSBZRFNWHNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-17(2,3)19-11-14-10-15(18)4-5-16(14)20-8-6-13(12-21)7-9-20/h4-5,10,13,19,21H,6-9,11-12H2,1-3H3.
What are the key properties of [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol?
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol has a molecular weight of 310.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 114847855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).