[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine

C23H34FN3 — CID 134578491

IUPAC[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine
SMILESCC(C)C1CCC(N2CCC(n3c(CN)cc4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C23H34FN3/c1-16(2)17-3-6-20(7-4-17)26-11-9-21(10-12-26)27-22(15-25)14-18-13-19(24)5-8-23(18)27/h5,8,13-14,16-17,20-21H,3-4,6-7,9-12,15,25H2,1-2H3
InChIKeyRYNCQVKHHAMRCX-UHFFFAOYSA-N
MW371.54 g/mol
LogP5.09
Rot. Bonds4

About [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine

[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine (PubChem CID 134578491) has the molecular formula C23H34FN3 and a molecular weight of 371.54 g/mol. Its IUPAC name is [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine
PubChem CID134578491
Molecular FormulaC23H34FN3
Molecular Weight371.54 g/mol
Exact Mass371.27
IUPAC Name[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine
SMILESCC(C)C1CCC(N2CCC(n3c(CN)cc4cc(F)ccc43)CC2)CC1
InChIInChI=1S/C23H34FN3/c1-16(2)17-3-6-20(7-4-17)26-11-9-21(10-12-26)27-22(15-25)14-18-13-19(24)5-8-23(18)27/h5,8,13-14,16-17,20-21H,3-4,6-7,9-12,15,25H2,1-2H3
InChIKeyRYNCQVKHHAMRCX-UHFFFAOYSA-N
XLogP5.09
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563625
2-[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]ethanamine
CID 134563338
3-(1-cyclopropyl-5-fluoroindol-2-yl)propan-1-amine
CID 115038926
[1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 135367933
benzyl N-[[5-methyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl]carbamate
CID 139547430
[5-fluoro-3-[(Z)-hydroxyiminomethyl]-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methyl carbamate
CID 139547536
[5-fluoro-3-(hydroxyiminomethyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methylcarbamic acid
CID 134563451
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
1-(1-cyclopropylpyrrolidin-3-yl)-6-fluorobenzimidazol-2-amine
CID 55068116
5-fluoro-3-(3-methoxy-2-oxopropyl)-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 146842552

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine?
The IUPAC name of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine (CID 134578491) is [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine?
The canonical SMILES for [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine is CC(C)C1CCC(N2CCC(n3c(CN)cc4cc(F)ccc43)CC2)CC1.
What is the InChIKey of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine?
The InChIKey is RYNCQVKHHAMRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3/c1-16(2)17-3-6-20(7-4-17)26-11-9-21(10-12-26)27-22(15-25)14-18-13-19(24)5-8-23(18)27/h5,8,13-14,16-17,20-21H,3-4,6-7,9-12,15,25H2,1-2H3.
What are the key properties of [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine?
[5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine has a molecular weight of 371.54 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]indol-2-yl]methanamine is sourced from PubChem (CID 134578491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).