[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol

C19H30N2O — CID 120858035

IUPAC[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C19H30N2O/c22-16-19(14-17-4-2-1-3-5-17)8-12-21(13-9-19)15-18-6-10-20-11-7-18/h1-5,18,20,22H,6-16H2
InChIKeyUAJIZHHQZVTWDU-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.30
Rot. Bonds5

About [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol

[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol (PubChem CID 120858035) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
PubChem CID120858035
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
SMILESOCC1(Cc2ccccc2)CCN(CC2CCNCC2)CC1
InChIInChI=1S/C19H30N2O/c22-16-19(14-17-4-2-1-3-5-17)8-12-21(13-9-19)15-18-6-10-20-11-7-18/h1-5,18,20,22H,6-16H2
InChIKeyUAJIZHHQZVTWDU-UHFFFAOYSA-N
XLogP2.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol (CID 120858035) is [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol is OCC1(Cc2ccccc2)CCN(CC2CCNCC2)CC1.
What is the InChIKey of [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol?
The InChIKey is UAJIZHHQZVTWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c22-16-19(14-17-4-2-1-3-5-17)8-12-21(13-9-19)15-18-6-10-20-11-7-18/h1-5,18,20,22H,6-16H2.
What are the key properties of [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol?
[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol has a molecular weight of 302.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 120858035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).