1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine

C15H31N3 — CID 113441755

IUPAC1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine
SMILESCCC1CCCCCN1CCN1CCC(N)CC1
InChIInChI=1S/C15H31N3/c1-2-15-6-4-3-5-9-18(15)13-12-17-10-7-14(16)8-11-17/h14-15H,2-13,16H2,1H3
InChIKeyRJNALCJUAVTOJB-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.06
Rot. Bonds4

About 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine

1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine (PubChem CID 113441755) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine
PubChem CID113441755
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine
SMILESCCC1CCCCCN1CCN1CCC(N)CC1
InChIInChI=1S/C15H31N3/c1-2-15-6-4-3-5-9-18(15)13-12-17-10-7-14(16)8-11-17/h14-15H,2-13,16H2,1H3
InChIKeyRJNALCJUAVTOJB-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine
CID 79328207
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]piperidin-4-amine
CID 79328437
3-[(2-ethylazepan-1-yl)methyl]cyclopentan-1-amine
CID 104690414
1,2-diethylpiperidine
CID 19604037
1-dodecyl-2-ethylpiperidine
CID 171569899
1-[1-(2-piperidin-1-ylethyl)piperidin-2-yl]propan-2-ol
CID 114337974
[4-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690353
3-[(2-ethylpiperidin-1-yl)methyl]-1-methylpiperidin-4-amine
CID 82171534
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
2-ethyl-5-methyl-1-propyl-azacycloundecane
CID 123350465
2-ethyl-1-nonylpiperidine;hydrofluoride
CID 175849535

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine (CID 113441755) is 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine is CCC1CCCCCN1CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine?
The InChIKey is RJNALCJUAVTOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-2-15-6-4-3-5-9-18(15)13-12-17-10-7-14(16)8-11-17/h14-15H,2-13,16H2,1H3.
What are the key properties of 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine?
1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine has a molecular weight of 253.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylazepan-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 113441755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).