[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine

C14H29N3 — CID 107912600

IUPAC[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
SMILESCCC1CCCN(CCN2CCCC2)C1CN
InChIInChI=1S/C14H29N3/c1-2-13-6-5-9-17(14(13)12-15)11-10-16-7-3-4-8-16/h13-14H,2-12,15H2,1H3
InChIKeyUYZPNDSSZNRXOT-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds5

About [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine

[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine (PubChem CID 107912600) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
PubChem CID107912600
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
SMILESCCC1CCCN(CCN2CCCC2)C1CN
InChIInChI=1S/C14H29N3/c1-2-13-6-5-9-17(14(13)12-15)11-10-16-7-3-4-8-16/h13-14H,2-12,15H2,1H3
InChIKeyUYZPNDSSZNRXOT-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
[3-ethyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83157442
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
[3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 82736146
[3-ethyl-1-[(4-methylmorpholin-2-yl)methyl]piperidin-2-yl]methanamine
CID 82736712
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
CID 82736942
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
CID 82731953
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
CID 82737150
[(2R,3R)-2-ethyl-1-methylpiperidin-3-yl]methanamine
CID 82416011
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
3-ethyl-1-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 81459970
[(2R,3R)-2-ethyl-1-(2-methylpropyl)azepan-3-yl]methanamine
CID 96612828

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine?
The IUPAC name of [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine (CID 107912600) is [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine?
The canonical SMILES for [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine is CCC1CCCN(CCN2CCCC2)C1CN.
What is the InChIKey of [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine?
The InChIKey is UYZPNDSSZNRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-13-6-5-9-17(14(13)12-15)11-10-16-7-3-4-8-16/h13-14H,2-12,15H2,1H3.
What are the key properties of [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine?
[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 107912600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).