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

C22H29N2O+ — CID 6973791

IUPAC(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
SMILESC[C@H]1CCC[C@H](C)[NH+]1C[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/p+1/t16-,17-,18-/m0/s1
InChIKeyVPRPANWSSJGICN-BZSNNMDCSA-O
MW337.49 g/mol
LogP3.00
Rot. Bonds4

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

(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol (PubChem CID 6973791) has the molecular formula C22H29N2O+ and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
PubChem CID6973791
Molecular FormulaC22H29N2O+
Molecular Weight337.49 g/mol
Exact Mass337.23
IUPAC Name(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol
SMILESC[C@H]1CCC[C@H](C)[NH+]1C[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/p+1/t16-,17-,18-/m0/s1
InChIKeyVPRPANWSSJGICN-BZSNNMDCSA-O
XLogP3.00
TPSA29.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol (CID 6973791) is (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol is C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol?
The InChIKey is VPRPANWSSJGICN-BZSNNMDCSA-O. 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/p+1/t16-,17-,18-/m0/s1.
What are the key properties of (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol?
(2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol has a molecular weight of 337.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-ol is sourced from PubChem (CID 6973791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).