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

C18H27ClN2O — CID 91775783

IUPAC[1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CN2CCCC2)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O/c19-17-5-3-16(4-6-17)13-20-11-7-18(15-22,8-12-20)14-21-9-1-2-10-21/h3-6,22H,1-2,7-15H2
InChIKeyJNZPPVCIKKUEEW-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.01
Rot. Bonds5

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

[1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (PubChem CID 91775783) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
PubChem CID91775783
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name[1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(CN2CCCC2)CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O/c19-17-5-3-16(4-6-17)13-20-11-7-18(15-22,8-12-20)14-21-9-1-2-10-21/h3-6,22H,1-2,7-15H2
InChIKeyJNZPPVCIKKUEEW-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol (CID 91775783) is [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is OCC1(CN2CCCC2)CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is JNZPPVCIKKUEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c19-17-5-3-16(4-6-17)13-20-11-7-18(15-22,8-12-20)14-21-9-1-2-10-21/h3-6,22H,1-2,7-15H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol?
[1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 322.88 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 91775783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).