1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine

C16H32N2 — CID 65086223

IUPAC1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
SMILESCCC1CCCC(N2CCC(C(C)N)CC2)CC1
InChIInChI=1S/C16H32N2/c1-3-14-5-4-6-16(8-7-14)18-11-9-15(10-12-18)13(2)17/h13-16H,3-12,17H2,1-2H3
InChIKeyVWLANLWGAHUBNE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds3

About 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine

1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine (PubChem CID 65086223) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
PubChem CID65086223
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
SMILESCCC1CCCC(N2CCC(C(C)N)CC2)CC1
InChIInChI=1S/C16H32N2/c1-3-14-5-4-6-16(8-7-14)18-11-9-15(10-12-18)13(2)17/h13-16H,3-12,17H2,1-2H3
InChIKeyVWLANLWGAHUBNE-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclobutylpiperidin-4-yl)ethanamine
CID 63935984
1-[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]ethanamine
CID 103975462
1-(1-cyclohexylpiperidin-4-yl)ethanamine
CID 63594620
1-[1-(4-propylcyclohexyl)piperidin-4-yl]ethanamine
CID 63595644
1-[1-[4-(2-methylbutan-2-yl)cyclohexyl]piperidin-4-yl]ethanamine
CID 63595307
1-(4-ethylcycloheptyl)azetidin-3-amine
CID 65244485
1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
CID 65088932
1-cyclooctyl-4-ethylpiperidine
CID 166912803
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
3-ethyl-1-azabicyclo[5.2.0]nonane
CID 89423692

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine (CID 65086223) is 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine is CCC1CCCC(N2CCC(C(C)N)CC2)CC1.
What is the InChIKey of 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine?
The InChIKey is VWLANLWGAHUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-14-5-4-6-16(8-7-14)18-11-9-15(10-12-18)13(2)17/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine?
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 65086223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).