6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]

C23H25ClFN3 — CID 167574671

IUPAC6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
SMILESCc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1
InChIInChI=1S/C23H25ClFN3/c1-15-2-3-16(20(25)12-15)14-28-10-7-23(8-11-28)22-18(6-9-26-23)19-13-17(24)4-5-21(19)27-22/h2-5,12-13,26-27H,6-11,14H2,1H3
InChIKeyGYRUQKDVFKEEDG-UHFFFAOYSA-N
MW397.93 g/mol
LogP4.91
Rot. Bonds2

About 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]

6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] (PubChem CID 167574671) has the molecular formula C23H25ClFN3 and a molecular weight of 397.93 g/mol. Its IUPAC name is 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine].

Molecular Properties

Compound Name6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
PubChem CID167574671
Molecular FormulaC23H25ClFN3
Molecular Weight397.93 g/mol
Exact Mass397.17
IUPAC Name6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
SMILESCc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1
InChIInChI=1S/C23H25ClFN3/c1-15-2-3-16(20(25)12-15)14-28-10-7-23(8-11-28)22-18(6-9-26-23)19-13-17(24)4-5-21(19)27-22/h2-5,12-13,26-27H,6-11,14H2,1H3
InChIKeyGYRUQKDVFKEEDG-UHFFFAOYSA-N
XLogP4.91
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1'-[(3-chloro-2-fluoro-4-methylphenyl)methyl]-6-methylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 167540997
1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]
CID 162650712
1'-[(3-chloro-2,6-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 162670826
6-chloro-1'-(3-naphthalen-1-yloxypropyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 10004412
1'-[(2,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];1'-[(3,4-difluorophenyl)methyl]-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];6-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine];5-[(6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methyl]-4-methyl-1,3-thiazole
CID 167642245
1'-(furan-2-ylmethyl)-6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]
CID 162661075
(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 122434958
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
CID 142894035
6-fluoro-N,N-dimethyl-1'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 11956794
6-methoxy-1'-[2-(3-methoxyphenoxy)ethyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]
CID 11429696

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?
The IUPAC name of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] (CID 167574671) is 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine].
What is the SMILES notation for 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?
The canonical SMILES for 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] is Cc1ccc(CN2CCC3(CC2)NCCc2c3[nH]c3ccc(Cl)cc23)c(F)c1.
What is the InChIKey of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?
The InChIKey is GYRUQKDVFKEEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3/c1-15-2-3-16(20(25)12-15)14-28-10-7-23(8-11-28)22-18(6-9-26-23)19-13-17(24)4-5-21(19)27-22/h2-5,12-13,26-27H,6-11,14H2,1H3.
What are the key properties of 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]?
6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] has a molecular weight of 397.93 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1'-[(2-fluoro-4-methylphenyl)methyl]spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine] is sourced from PubChem (CID 167574671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).