1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine

C17H27N3 — CID 79986204

IUPAC1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(C2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C17H27N3/c1-14-9-16(18)12-20(10-14)17-7-8-19(13-17)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,18H2,1H3
InChIKeyMEQKBKWUGGVYHL-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.93
Rot. Bonds3

About 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine

1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine (PubChem CID 79986204) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
PubChem CID79986204
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(C2CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C17H27N3/c1-14-9-16(18)12-20(10-14)17-7-8-19(13-17)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,18H2,1H3
InChIKeyMEQKBKWUGGVYHL-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
CID 103575535
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
3-(4-benzyl-6-methyl-1,4-diazepan-1-yl)cyclopentan-1-amine
CID 130751645
2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
CID 82384775
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 24703138
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(3S,5R)-1-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperazine
CID 130914689
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
1-(1-benzylpyrrolidin-3-yl)-N,4-dimethylpiperidin-4-amine
CID 115303946

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine (CID 79986204) is 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine is CC1CC(N)CN(C2CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine?
The InChIKey is MEQKBKWUGGVYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-9-16(18)12-20(10-14)17-7-8-19(13-17)11-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13,18H2,1H3.
What are the key properties of 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine?
1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrrolidin-3-yl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 79986204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).