1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine

C14H29N3 — CID 79397751

IUPAC1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine
SMILESCCN1CCCC(N2CCC(N)C(C)C2C)C1
InChIInChI=1S/C14H29N3/c1-4-16-8-5-6-13(10-16)17-9-7-14(15)11(2)12(17)3/h11-14H,4-10,15H2,1-3H3
InChIKeyHQVNSYWGJZKOHZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine

1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine (PubChem CID 79397751) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine
PubChem CID79397751
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine
SMILESCCN1CCCC(N2CCC(N)C(C)C2C)C1
InChIInChI=1S/C14H29N3/c1-4-16-8-5-6-13(10-16)17-9-7-14(15)11(2)12(17)3/h11-14H,4-10,15H2,1-3H3
InChIKeyHQVNSYWGJZKOHZ-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine (CID 79397751) is 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine is CCN1CCCC(N2CCC(N)C(C)C2C)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is HQVNSYWGJZKOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-16-8-5-6-13(10-16)17-9-7-14(15)11(2)12(17)3/h11-14H,4-10,15H2,1-3H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine?
1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79397751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).