(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol

C22H28N2O — CID 1202455

IUPAC(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H28N2O/c1-16-8-7-9-17(2)23(16)14-18(25)15-24-21-12-5-3-10-19(21)20-11-4-6-13-22(20)24/h3-6,10-13,16-18,25H,7-9,14-15H2,1-2H3/t16-,17-,18-/m0/s1
InChIKeyVPRPANWSSJGICN-BZSNNMDCSA-N
MW336.48 g/mol
LogP4.42
Rot. Bonds4

About (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol

(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol (PubChem CID 1202455) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
PubChem CID1202455
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
SMILESC[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H28N2O/c1-16-8-7-9-17(2)23(16)14-18(25)15-24-21-12-5-3-10-19(21)20-11-4-6-13-22(20)24/h3-6,10-13,16-18,25H,7-9,14-15H2,1-2H3/t16-,17-,18-/m0/s1
InChIKeyVPRPANWSSJGICN-BZSNNMDCSA-N
XLogP4.42
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]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 (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol (CID 1202455) is (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol is C[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
The InChIKey is VPRPANWSSJGICN-BZSNNMDCSA-N. The full InChI is InChI=1S/C22H28N2O/c1-16-8-7-9-17(2)23(16)14-18(25)15-24-21-12-5-3-10-19(21)20-11-4-6-13-22(20)24/h3-6,10-13,16-18,25H,7-9,14-15H2,1-2H3/t16-,17-,18-/m0/s1.
What are the key properties of (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol?
(2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 1202455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).