1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol

C15H22ClNO2 — CID 111824353

IUPAC1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
SMILESCOc1ccc(CN2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(18)12-5-7-17(8-6-12)10-13-3-4-14(19-2)9-15(13)16/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyHDGCCLBNKYFVHU-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol

1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 111824353) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
PubChem CID111824353
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
SMILESCOc1ccc(CN2CCC(C(C)O)CC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO2/c1-11(18)12-5-7-17(8-6-12)10-13-3-4-14(19-2)9-15(13)16/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyHDGCCLBNKYFVHU-UHFFFAOYSA-N
XLogP2.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023582
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 106869306
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
N-[[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120966398
1-[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-4-yl]ethanol
CID 106835613
1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 110022533
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
N-butan-2-yl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 163328451

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol (CID 111824353) is 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol is COc1ccc(CN2CCC(C(C)O)CC2)c(Cl)c1.
What is the InChIKey of 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is HDGCCLBNKYFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-11(18)12-5-7-17(8-6-12)10-13-3-4-14(19-2)9-15(13)16/h3-4,9,11-12,18H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 283.80 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-4-methoxyphenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111824353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).