1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine

C16H32N2 — CID 65085464

IUPAC1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-13(17)14-7-11-18(12-8-14)15-5-4-9-16(2,3)10-6-15/h13-15H,4-12,17H2,1-3H3
InChIKeyJFUOWWWPAYVEAD-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds2

About 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine

1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine (PubChem CID 65085464) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
PubChem CID65085464
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(C2CCCC(C)(C)CC2)CC1
InChIInChI=1S/C16H32N2/c1-13(17)14-7-11-18(12-8-14)15-5-4-9-16(2,3)10-6-15/h13-15H,4-12,17H2,1-3H3
InChIKeyJFUOWWWPAYVEAD-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-cyclohexylpiperidin-4-yl)ethanamine
CID 63594620
1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
CID 103975580
1-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]ethanamine
CID 79863118
(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65391673
1-[1-(4-ethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65086223
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
1-(4,4-dimethylcycloheptyl)-N,4-dimethylpiperidin-4-amine
CID 113282880
1-(4,4-dimethylcycloheptyl)-N-methylpyrrolidin-3-amine
CID 115300022
1-[1-(4-propylcyclohexyl)piperidin-4-yl]ethanamine
CID 63595644
1-cyclobutyl-4,4-dimethylpiperidine
CID 70344031
2-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]acetic acid
CID 79605937

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine (CID 65085464) is 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine is CC(N)C1CCN(C2CCCC(C)(C)CC2)CC1.
What is the InChIKey of 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine?
The InChIKey is JFUOWWWPAYVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(17)14-7-11-18(12-8-14)15-5-4-9-16(2,3)10-6-15/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine?
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 65085464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).