[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol

C16H25ClN2O — CID 43281551

IUPAC[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
SMILESCC(C)NCc1c(Cl)cccc1N1CCC(CO)CC1
InChIInChI=1S/C16H25ClN2O/c1-12(2)18-10-14-15(17)4-3-5-16(14)19-8-6-13(11-20)7-9-19/h3-5,12-13,18,20H,6-11H2,1-2H3
InChIKeyGSUQXZLJKXADQJ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.05
Rot. Bonds5

About [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol

[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 43281551) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
PubChem CID43281551
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
SMILESCC(C)NCc1c(Cl)cccc1N1CCC(CO)CC1
InChIInChI=1S/C16H25ClN2O/c1-12(2)18-10-14-15(17)4-3-5-16(14)19-8-6-13(11-20)7-9-19/h3-5,12-13,18,20H,6-11H2,1-2H3
InChIKeyGSUQXZLJKXADQJ-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43280259
2-[4-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 43592257
N-[[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 79188653
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chlorophenyl]methyl]propan-2-amine
CID 82752937
4-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]-1-methylpiperazin-2-one
CID 64695541
[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
CID 63060772
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590515
1-[2-chloro-6-(4-methoxypiperidin-1-yl)phenyl]-N-methylmethanamine
CID 43373136
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
N-[(2-chloro-6-pyrrolidin-1-ylphenyl)methyl]cyclopropanamine
CID 43280283

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol (CID 43281551) is [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol is CC(C)NCc1c(Cl)cccc1N1CCC(CO)CC1.
What is the InChIKey of [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is GSUQXZLJKXADQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)18-10-14-15(17)4-3-5-16(14)19-8-6-13(11-20)7-9-19/h3-5,12-13,18,20H,6-11H2,1-2H3.
What are the key properties of [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol?
[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 296.84 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 43281551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).