[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone

C15H28N2O — CID 65019049

IUPAC[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
SMILESNCC1CCCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O/c16-11-13-7-6-10-17(12-13)15(18)14-8-4-2-1-3-5-9-14/h13-14H,1-12,16H2
InChIKeyZWXMICLKLHBHMO-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone

[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone (PubChem CID 65019049) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
PubChem CID65019049
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
SMILESNCC1CCCN(C(=O)C2CCCCCCC2)C1
InChIInChI=1S/C15H28N2O/c16-11-13-7-6-10-17(12-13)15(18)14-8-4-2-1-3-5-9-14/h13-14H,1-12,16H2
InChIKeyZWXMICLKLHBHMO-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
CID 62759775
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
CID 119464992
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
cyclopropyl-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 43589536

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone (CID 65019049) is [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone is NCC1CCCN(C(=O)C2CCCCCCC2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone?
The InChIKey is ZWXMICLKLHBHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-11-13-7-6-10-17(12-13)15(18)14-8-4-2-1-3-5-9-14/h13-14H,1-12,16H2.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone?
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone has a molecular weight of 252.40 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone is sourced from PubChem (CID 65019049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).