(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol

C18H24ClN3O — CID 95978859

IUPAC(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cnn(CC2CCN(C[C@H](O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H24ClN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-4-2-3-5-17(16)19/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3/t18-/m0/s1
InChIKeyAJGHNCYMXSMRGE-SFHVURJKSA-N
MW333.86 g/mol
LogP3.29
Rot. Bonds5

About (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol

(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol (PubChem CID 95978859) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
PubChem CID95978859
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
SMILESCc1cnn(CC2CCN(C[C@H](O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C18H24ClN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-4-2-3-5-17(16)19/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3/t18-/m0/s1
InChIKeyAJGHNCYMXSMRGE-SFHVURJKSA-N
XLogP3.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-[2-(2-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetate
CID 110891469
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
1-(2-chlorophenyl)-2-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488895
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
1-[4-[2-(2-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 56686977
4-[(4-methylpyrazol-1-yl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidine
CID 166314468
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110911100
1-(2-fluorophenyl)-2-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 166226938
(1S)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-phenylethanol
CID 100841984
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
1-(2-chlorophenyl)-2-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanol
CID 111858425
2-(4-chloro-5-methylpyrazol-1-yl)-1-(2-chlorophenyl)ethanol
CID 109411972

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol (CID 95978859) is (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol is Cc1cnn(CC2CCN(C[C@H](O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
The InChIKey is AJGHNCYMXSMRGE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-14-10-20-22(11-14)12-15-6-8-21(9-7-15)13-18(23)16-4-2-3-5-17(16)19/h2-5,10-11,15,18,23H,6-9,12-13H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol?
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol has a molecular weight of 333.86 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 95978859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).