(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol

C24H22F2N2O — CID 118595150

IUPAC(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CCC1n1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C24H22F2N2O/c25-17-6-8-21-19(12-17)20-13-18(26)7-9-22(20)28(21)23-10-11-27(15-24(23)29)14-16-4-2-1-3-5-16/h1-9,12-13,23-24,29H,10-11,14-15H2/t23?,24-/m1/s1
InChIKeyKLUXHGIKMRQTOQ-XMMISQBUSA-N
MW392.45 g/mol
LogP4.88
Rot. Bonds3

About (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol

(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol (PubChem CID 118595150) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
PubChem CID118595150
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccccc2)CCC1n1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C24H22F2N2O/c25-17-6-8-21-19(12-17)20-13-18(26)7-9-22(20)28(21)23-10-11-27(15-24(23)29)14-16-4-2-1-3-5-16/h1-9,12-13,23-24,29H,10-11,14-15H2/t23?,24-/m1/s1
InChIKeyKLUXHGIKMRQTOQ-XMMISQBUSA-N
XLogP4.88
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
1-benzyl-4-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156517660
(3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-1-(3,3,3-trifluoropropyl)piperidin-3-ol
CID 76901571
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
(3S,4S)-1-[(3-fluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 129393398
1-benzyl-4-(2H-pyridin-1-yl)piperidin-3-ol
CID 142663954
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The IUPAC name of (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol (CID 118595150) is (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol.
What is the SMILES notation for (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The canonical SMILES for (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol is O[C@@H]1CN(Cc2ccccc2)CCC1n1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
The InChIKey is KLUXHGIKMRQTOQ-XMMISQBUSA-N. The full InChI is InChI=1S/C24H22F2N2O/c25-17-6-8-21-19(12-17)20-13-18(26)7-9-22(20)28(21)23-10-11-27(15-24(23)29)14-16-4-2-1-3-5-16/h1-9,12-13,23-24,29H,10-11,14-15H2/t23?,24-/m1/s1.
What are the key properties of (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol?
(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol has a molecular weight of 392.45 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol is sourced from PubChem (CID 118595150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).