1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol

C27H30N2O2 — CID 46889810

IUPAC1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2
InChIKeyFNPRERNONGSACT-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.02
Rot. Bonds7

About 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol

1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol (PubChem CID 46889810) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol
PubChem CID46889810
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol
SMILESOC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2
InChIKeyFNPRERNONGSACT-UHFFFAOYSA-N
XLogP5.02
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol (CID 46889810) is 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol is OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol?
The InChIKey is FNPRERNONGSACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol?
1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol has a molecular weight of 414.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(9H-carbazol-4-yloxy)propan-2-ol is sourced from PubChem (CID 46889810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).