[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol

C16H25ClN2O — CID 43590515

IUPAC[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
SMILESCCCNCc1c(Cl)cccc1N1CCCC(CO)C1
InChIInChI=1S/C16H25ClN2O/c1-2-8-18-10-14-15(17)6-3-7-16(14)19-9-4-5-13(11-19)12-20/h3,6-7,13,18,20H,2,4-5,8-12H2,1H3
InChIKeyNZBNGYBRCSNFOP-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.05
Rot. Bonds6

About [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol

[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol (PubChem CID 43590515) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
PubChem CID43590515
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
SMILESCCCNCc1c(Cl)cccc1N1CCCC(CO)C1
InChIInChI=1S/C16H25ClN2O/c1-2-8-18-10-14-15(17)6-3-7-16(14)19-9-4-5-13(11-19)12-20/h3,6-7,13,18,20H,2,4-5,8-12H2,1H3
InChIKeyNZBNGYBRCSNFOP-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[2-[(tert-butylamino)methyl]-3-chlorophenyl]piperidin-3-yl]methanol
CID 63060772
[1-[2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590495
N-[[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 63550854
N-[[2-chloro-6-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43281049
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590389
N-[(2-chloro-6-morpholin-4-ylphenyl)methyl]propan-1-amine
CID 43280316
[1-[2-fluoro-4-(propylaminomethyl)phenyl]piperidin-3-yl]methanol
CID 43590500
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
N-[[2-chloro-6-(2-ethylazepan-1-yl)phenyl]methyl]propan-1-amine
CID 104690803
N-[[2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]phenyl]methyl]propan-1-amine
CID 62888458
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 60677826
[1-[3-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281551

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol (CID 43590515) is [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol is CCCNCc1c(Cl)cccc1N1CCCC(CO)C1.
What is the InChIKey of [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
The InChIKey is NZBNGYBRCSNFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-2-8-18-10-14-15(17)6-3-7-16(14)19-9-4-5-13(11-19)12-20/h3,6-7,13,18,20H,2,4-5,8-12H2,1H3.
What are the key properties of [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol?
[1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol has a molecular weight of 296.84 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-2-(propylaminomethyl)phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 43590515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).