[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C18H28FN3 — CID 117490871

IUPAC[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(CN2CCCCC2)c(F)c1
InChIInChI=1S/C18H28FN3/c1-21-12-14(11-20)9-18(21)15-5-6-16(17(19)10-15)13-22-7-3-2-4-8-22/h5-6,10,14,18H,2-4,7-9,11-13,20H2,1H3
InChIKeyJMAJIZMSKUUKMQ-UHFFFAOYSA-N
MW305.44 g/mol
LogP2.76
Rot. Bonds4

About [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117490871) has the molecular formula C18H28FN3 and a molecular weight of 305.44 g/mol. Its IUPAC name is [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117490871
Molecular FormulaC18H28FN3
Molecular Weight305.44 g/mol
Exact Mass305.23
IUPAC Name[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccc(CN2CCCCC2)c(F)c1
InChIInChI=1S/C18H28FN3/c1-21-12-14(11-20)9-18(21)15-5-6-16(17(19)10-15)13-22-7-3-2-4-8-22/h5-6,10,14,18H,2-4,7-9,11-13,20H2,1H3
InChIKeyJMAJIZMSKUUKMQ-UHFFFAOYSA-N
XLogP2.76
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117492434
[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117418091
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
1-[(2-fluoro-4-pyrrolidin-2-ylphenyl)methyl]piperidine
CID 117411013
[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434114
[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
[5-(3-chloro-4,5-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406207
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438516
[5-(3-bromo-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117463198
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
CID 117438743

Frequently Asked Questions

What is the IUPAC name of [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117490871) is [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccc(CN2CCCCC2)c(F)c1.
What is the InChIKey of [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is JMAJIZMSKUUKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3/c1-21-12-14(11-20)9-18(21)15-5-6-16(17(19)10-15)13-22-7-3-2-4-8-22/h5-6,10,14,18H,2-4,7-9,11-13,20H2,1H3.
What are the key properties of [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 305.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117490871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).