[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine

C17H27N3 — CID 117436780

IUPAC[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccccc1C1CCNCC1
InChIInChI=1S/C17H27N3/c1-20-12-13(11-18)10-17(20)16-5-3-2-4-15(16)14-6-8-19-9-7-14/h2-5,13-14,17,19H,6-12,18H2,1H3
InChIKeyPEVKGZXUOMHTHN-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.11
Rot. Bonds3

About [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 117436780) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID117436780
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)CC1c1ccccc1C1CCNCC1
InChIInChI=1S/C17H27N3/c1-20-12-13(11-18)10-17(20)16-5-3-2-4-15(16)14-6-8-19-9-7-14/h2-5,13-14,17,19H,6-12,18H2,1H3
InChIKeyPEVKGZXUOMHTHN-UHFFFAOYSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434116
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline
CID 117408815
[5-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117433987
[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117389264
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
[5-[2-(1-methoxyethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117096
[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117089
4-[2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]piperazine-2,6-dione
CID 117487255
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
[1-methyl-5-[2-(thietan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
CID 117446779
[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
CID 117410820
[5-(2,3-dimethyl-1H-indol-7-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117397204

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine (CID 117436780) is [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine is CN1CC(CN)CC1c1ccccc1C1CCNCC1.
What is the InChIKey of [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is PEVKGZXUOMHTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-20-12-13(11-18)10-17(20)16-5-3-2-4-15(16)14-6-8-19-9-7-14/h2-5,13-14,17,19H,6-12,18H2,1H3.
What are the key properties of [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117436780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).