1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol

C18H27ClN2O — CID 111488895

IUPAC1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCC(CN2CCCCC2)C1)c1ccccc1Cl
InChIInChI=1S/C18H27ClN2O/c19-17-7-3-2-6-16(17)18(22)14-21-11-8-15(13-21)12-20-9-4-1-5-10-20/h2-3,6-7,15,18,22H,1,4-5,8-14H2
InChIKeyWMZBCKMKMTXSJD-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.18
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol

1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol (PubChem CID 111488895) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
PubChem CID111488895
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCC(CN2CCCCC2)C1)c1ccccc1Cl
InChIInChI=1S/C18H27ClN2O/c19-17-7-3-2-6-16(17)18(22)14-21-11-8-15(13-21)12-20-9-4-1-5-10-20/h2-3,6-7,15,18,22H,1,4-5,8-14H2
InChIKeyWMZBCKMKMTXSJD-UHFFFAOYSA-N
XLogP3.18
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propylpiperidine-3-carboxamide
CID 49440645
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
(1R)-1-(2-chlorophenyl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanol
CID 97069134
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859
4-[2-(2-chlorophenyl)-2-hydroxyethyl]morpholine-2-carbonitrile
CID 111105453
(2S)-1-[(2R)-4-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124780336
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
(3aR,7aS)-2-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 94385491

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol (CID 111488895) is 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol is OC(CN1CCC(CN2CCCCC2)C1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol?
The InChIKey is WMZBCKMKMTXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c19-17-7-3-2-6-16(17)18(22)14-21-11-8-15(13-21)12-20-9-4-1-5-10-20/h2-3,6-7,15,18,22H,1,4-5,8-14H2.
What are the key properties of 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol?
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol has a molecular weight of 322.88 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 111488895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).