3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol

C20H34N2O — CID 46983210

IUPAC3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)CC1CCN(C(C)C)CC1
InChIInChI=1S/C20H34N2O/c1-17(2)22-11-9-20(10-12-22)15-21(13-18(3)16-23)14-19-7-5-4-6-8-19/h4-8,17-18,20,23H,9-16H2,1-3H3
InChIKeyHCUCHJVUPADZCG-UHFFFAOYSA-N
MW318.50 g/mol
LogP3.24
Rot. Bonds8

About 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol

3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol (PubChem CID 46983210) has the molecular formula C20H34N2O and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol
PubChem CID46983210
Molecular FormulaC20H34N2O
Molecular Weight318.50 g/mol
Exact Mass318.27
IUPAC Name3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)CC1CCN(C(C)C)CC1
InChIInChI=1S/C20H34N2O/c1-17(2)22-11-9-20(10-12-22)15-21(13-18(3)16-23)14-19-7-5-4-6-8-19/h4-8,17-18,20,23H,9-16H2,1-3H3
InChIKeyHCUCHJVUPADZCG-UHFFFAOYSA-N
XLogP3.24
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol (CID 46983210) is 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol is CC(CO)CN(Cc1ccccc1)CC1CCN(C(C)C)CC1.
What is the InChIKey of 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol?
The InChIKey is HCUCHJVUPADZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-17(2)22-11-9-20(10-12-22)15-21(13-18(3)16-23)14-19-7-5-4-6-8-19/h4-8,17-18,20,23H,9-16H2,1-3H3.
What are the key properties of 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol?
3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol has a molecular weight of 318.50 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[(1-propan-2-ylpiperidin-4-yl)methyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 46983210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).