1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine

C12H25N3 — CID 84734630

IUPAC1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine
SMILESCN1CCCC(N)(CCN2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-14-7-4-5-12(13,11-14)6-10-15-8-2-3-9-15/h2-11,13H2,1H3
InChIKeyZGFQRDOFYQYCLX-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.90
Rot. Bonds3

About 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine

1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine (PubChem CID 84734630) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine
PubChem CID84734630
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine
SMILESCN1CCCC(N)(CCN2CCCC2)C1
InChIInChI=1S/C12H25N3/c1-14-7-4-5-12(13,11-14)6-10-15-8-2-3-9-15/h2-11,13H2,1H3
InChIKeyZGFQRDOFYQYCLX-UHFFFAOYSA-N
XLogP0.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azocan-1-yl)ethyl]cyclohexan-1-amine
CID 64678910
3-(fluoromethyl)-1-methylpiperidin-3-amine
CID 84762965
1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79854675
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
3-(cyclobutylmethyl)-1-methylpiperidin-3-amine
CID 84658746
2-(3-amino-1-methylpiperidin-3-yl)acetate
CID 86649846
1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79841857
2-(3-amino-1-ethylpiperidin-3-yl)ethanol
CID 83914583
methyl 2-(3-amino-1-methylazepan-3-yl)acetate
CID 83908328
1-[2-(4-ethylazepan-1-yl)ethyl]cyclopentan-1-amine
CID 64681225
1-[2-(1-aminocyclopentyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 64677916
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine?
The IUPAC name of 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine (CID 84734630) is 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine.
What is the SMILES notation for 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine?
The canonical SMILES for 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine is CN1CCCC(N)(CCN2CCCC2)C1.
What is the InChIKey of 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine?
The InChIKey is ZGFQRDOFYQYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-14-7-4-5-12(13,11-14)6-10-15-8-2-3-9-15/h2-11,13H2,1H3.
What are the key properties of 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine?
1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine has a molecular weight of 211.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine is sourced from PubChem (CID 84734630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).