1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine

C13H27N3 — CID 62370363

IUPAC1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine
SMILESCCN1CCC(N(C)CC2CCNC2)CC1
InChIInChI=1S/C13H27N3/c1-3-16-8-5-13(6-9-16)15(2)11-12-4-7-14-10-12/h12-14H,3-11H2,1-2H3
InChIKeyZZUIMWWMNWUBGM-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds4

About 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine

1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine (PubChem CID 62370363) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine
PubChem CID62370363
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine
SMILESCCN1CCC(N(C)CC2CCNC2)CC1
InChIInChI=1S/C13H27N3/c1-3-16-8-5-13(6-9-16)15(2)11-12-4-7-14-10-12/h12-14H,3-11H2,1-2H3
InChIKeyZZUIMWWMNWUBGM-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine (CID 62370363) is 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine is CCN1CCC(N(C)CC2CCNC2)CC1.
What is the InChIKey of 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine?
The InChIKey is ZZUIMWWMNWUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-16-8-5-13(6-9-16)15(2)11-12-4-7-14-10-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine?
1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 62370363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).