[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol

C23H25ClN2O — CID 25275868

IUPAC[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H25ClN2O/c24-21-7-3-1-6-19(21)15-23(17-27)11-13-26(14-12-23)16-20-10-9-18-5-2-4-8-22(18)25-20/h1-10,27H,11-17H2
InChIKeyUKZONYUGKGTOJZ-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.71
Rot. Bonds5

About [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol

[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol (PubChem CID 25275868) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
PubChem CID25275868
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2Cl)CCN(Cc2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H25ClN2O/c24-21-7-3-1-6-19(21)15-23(17-27)11-13-26(14-12-23)16-20-10-9-18-5-2-4-8-22(18)25-20/h1-10,27H,11-17H2
InChIKeyUKZONYUGKGTOJZ-UHFFFAOYSA-N
XLogP4.71
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 26405184
[1-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
[4-[(2-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-4-yl]methanol
CID 56752619
2-[[5-[[4-(hydroxymethyl)-4-(quinolin-2-ylmethyl)piperidin-1-yl]methyl]-2-methylimidazol-1-yl]methyl]benzonitrile
CID 67586306
[4-[(2-chlorophenyl)methyl]-1-(3-methylsulfanylpropyl)piperidin-4-yl]methanol
CID 28766387
2-[[4-(2-chloroethyl)piperazin-1-yl]methyl]quinoline
CID 63386827
1-[4-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 25454897
[4-[(2-chlorophenyl)methyl]-1-[(3-phenylpyrazolidin-4-yl)methyl]piperidin-4-yl]methanol
CID 74552846
[3-(3-phenylpropyl)-1-(quinolin-2-ylmethyl)piperidin-3-yl]methanol
CID 45196346
[4-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)piperidin-4-yl]methanol
CID 45173972
[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 25369839
1-[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 26399890

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol (CID 25275868) is [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol is OCC1(Cc2ccccc2Cl)CCN(Cc2ccc3ccccc3n2)CC1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is UKZONYUGKGTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c24-21-7-3-1-6-19(21)15-23(17-27)11-13-26(14-12-23)16-20-10-9-18-5-2-4-8-22(18)25-20/h1-10,27H,11-17H2.
What are the key properties of [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol?
[4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 380.92 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]-1-(quinolin-2-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 25275868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).