[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol

C17H27ClN2O — CID 62909344

IUPAC[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
SMILESCCCNC(C)c1ccc(N2CCC(CO)CC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-3-8-19-13(2)15-4-5-17(16(18)11-15)20-9-6-14(12-21)7-10-20/h4-5,11,13-14,19,21H,3,6-10,12H2,1-2H3
InChIKeyJDXWTIILCUBTFZ-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.61
Rot. Bonds6

About [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol

[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol (PubChem CID 62909344) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
PubChem CID62909344
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
SMILESCCCNC(C)c1ccc(N2CCC(CO)CC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2O/c1-3-8-19-13(2)15-4-5-17(16(18)11-15)20-9-6-14(12-21)7-10-20/h4-5,11,13-14,19,21H,3,6-10,12H2,1-2H3
InChIKeyJDXWTIILCUBTFZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidine-3,4-diol
CID 106670009
N-[1-(3-chloro-4-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 62908479
1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958837
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
[1-[3-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 115965439
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
CID 62911549
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
1-[3-chloro-4-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-N-methylethanamine
CID 62910990
N-[1-[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethyl]propan-1-amine
CID 64598754
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]ethanol
CID 106836509
1-[1-[2-chloro-4-(1-hydroxyethyl)phenyl]piperidin-4-yl]ethanol
CID 106836525

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol (CID 62909344) is [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol is CCCNC(C)c1ccc(N2CCC(CO)CC2)c(Cl)c1.
What is the InChIKey of [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol?
The InChIKey is JDXWTIILCUBTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-8-19-13(2)15-4-5-17(16(18)11-15)20-9-6-14(12-21)7-10-20/h4-5,11,13-14,19,21H,3,6-10,12H2,1-2H3.
What are the key properties of [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol?
[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol has a molecular weight of 310.87 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 62909344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).