[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol

C20H30ClNO — CID 30877017

IUPAC[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol
SMILESC=C(C)CC[C@@H](C)N1CCC(CO)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H30ClNO/c1-16(2)8-9-17(3)22-12-10-20(15-23,11-13-22)14-18-6-4-5-7-19(18)21/h4-7,17,23H,1,8-15H2,2-3H3/t17-/m1/s1
InChIKeyUFKRNYYBQDXLLK-QGZVFWFLSA-N
MW335.92 g/mol
LogP4.70
Rot. Bonds7

About [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol

[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol (PubChem CID 30877017) has the molecular formula C20H30ClNO and a molecular weight of 335.92 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol
PubChem CID30877017
Molecular FormulaC20H30ClNO
Molecular Weight335.92 g/mol
Exact Mass335.20
IUPAC Name[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol
SMILESC=C(C)CC[C@@H](C)N1CCC(CO)(Cc2ccccc2Cl)CC1
InChIInChI=1S/C20H30ClNO/c1-16(2)8-9-17(3)22-12-10-20(15-23,11-13-22)14-18-6-4-5-7-19(18)21/h4-7,17,23H,1,8-15H2,2-3H3/t17-/m1/s1
InChIKeyUFKRNYYBQDXLLK-QGZVFWFLSA-N
XLogP4.70
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol (CID 30877017) is [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol is C=C(C)CC[C@@H](C)N1CCC(CO)(Cc2ccccc2Cl)CC1.
What is the InChIKey of [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol?
The InChIKey is UFKRNYYBQDXLLK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30ClNO/c1-16(2)8-9-17(3)22-12-10-20(15-23,11-13-22)14-18-6-4-5-7-19(18)21/h4-7,17,23H,1,8-15H2,2-3H3/t17-/m1/s1.
What are the key properties of [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol?
[4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol has a molecular weight of 335.92 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methyl]-1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 30877017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).