(3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol

C17H18FN3O — CID 137447200

IUPAC(3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol
SMILESCc1cnc2c(c1)c1cc(F)ccc1n2[C@H]1CCNC[C@@H]1O
InChIInChI=1S/C17H18FN3O/c1-10-6-13-12-7-11(18)2-3-14(12)21(17(13)20-8-10)15-4-5-19-9-16(15)22/h2-3,6-8,15-16,19,22H,4-5,9H2,1H3/t15-,16-/m0/s1
InChIKeySDNOKDIAQTWIPY-HOTGVXAUSA-N
MW299.35 g/mol
LogP2.53
Rot. Bonds1

About (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol

(3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol (PubChem CID 137447200) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol
PubChem CID137447200
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol
SMILESCc1cnc2c(c1)c1cc(F)ccc1n2[C@H]1CCNC[C@@H]1O
InChIInChI=1S/C17H18FN3O/c1-10-6-13-12-7-11(18)2-3-14(12)21(17(13)20-8-10)15-4-5-19-9-16(15)22/h2-3,6-8,15-16,19,22H,4-5,9H2,1H3/t15-,16-/m0/s1
InChIKeySDNOKDIAQTWIPY-HOTGVXAUSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 76901959
(3R,4R)-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 76901758
(3S,4S)-4-carbazol-9-ylpiperidin-3-ol
CID 76902154
5-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632364
3,6-dichloro-9-[(4S)-3-fluoropiperidin-4-yl]carbazole
CID 144664156
3-chloro-6-fluoro-9-piperidin-4-ylcarbazole
CID 137447183
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]piperidin-4-ol
CID 90281682
(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol
CID 76902730
(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154821312
2-(4-fluorophenyl)-6-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 82151112
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903
6-fluoro-1,2-dimethyl-3-(pyrrolidin-3-ylmethyl)indole
CID 84632400

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol (CID 137447200) is (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol is Cc1cnc2c(c1)c1cc(F)ccc1n2[C@H]1CCNC[C@@H]1O.
What is the InChIKey of (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol?
The InChIKey is SDNOKDIAQTWIPY-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-10-6-13-12-7-11(18)2-3-14(12)21(17(13)20-8-10)15-4-5-19-9-16(15)22/h2-3,6-8,15-16,19,22H,4-5,9H2,1H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol?
(3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol has a molecular weight of 299.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(6-fluoro-3-methylpyrido[2,3-b]indol-9-yl)piperidin-3-ol is sourced from PubChem (CID 137447200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).