[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol

C17H27ClN2O — CID 114847856

IUPAC[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
SMILESCC(C)CNCc1ccc(Cl)cc1N1CCC(CO)CC1
InChIInChI=1S/C17H27ClN2O/c1-13(2)10-19-11-15-3-4-16(18)9-17(15)20-7-5-14(12-21)6-8-20/h3-4,9,13-14,19,21H,5-8,10-12H2,1-2H3
InChIKeyXLVMZSJTYFNQSL-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.29
Rot. Bonds6

About [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol

[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol (PubChem CID 114847856) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
PubChem CID114847856
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
SMILESCC(C)CNCc1ccc(Cl)cc1N1CCC(CO)CC1
InChIInChI=1S/C17H27ClN2O/c1-13(2)10-19-11-15-3-4-16(18)9-17(15)20-7-5-14(12-21)6-8-20/h3-4,9,13-14,19,21H,5-8,10-12H2,1-2H3
InChIKeyXLVMZSJTYFNQSL-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848840
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N-[[4-chloro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114847720
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
[1-[5-bromo-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 43281531
1-[1-[5-chloro-2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836700
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335
1-[1-[5-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853249
N-[[4-chloro-2-(2-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114847936
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
N-[[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]propan-1-amine
CID 114851547
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168

Frequently Asked Questions

What is the IUPAC name of [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol (CID 114847856) is [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol is CC(C)CNCc1ccc(Cl)cc1N1CCC(CO)CC1.
What is the InChIKey of [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is XLVMZSJTYFNQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-13(2)10-19-11-15-3-4-16(18)9-17(15)20-7-5-14(12-21)6-8-20/h3-4,9,13-14,19,21H,5-8,10-12H2,1-2H3.
What are the key properties of [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol?
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 310.87 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 114847856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).