[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone

C13H22F2N2O — CID 114226481

IUPAC[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
SMILESNCC1CCCCN1C(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c14-13(15)6-3-4-10(8-13)12(18)17-7-2-1-5-11(17)9-16/h10-11H,1-9,16H2
InChIKeyLFEIAIONNYVPCQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.15
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone

[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone (PubChem CID 114226481) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
PubChem CID114226481
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
SMILESNCC1CCCCN1C(=O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H22F2N2O/c14-13(15)6-3-4-10(8-13)12(18)17-7-2-1-5-11(17)9-16/h10-11H,1-9,16H2
InChIKeyLFEIAIONNYVPCQ-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 119634302
[2-(3-bromopropyl)pyrrolidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226636
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
[2-(aminomethyl)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 64767287
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119632879
2-chloro-1-(3,3-difluorocyclohexyl)ethanone
CID 130487880
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone (CID 114226481) is [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone is NCC1CCCCN1C(=O)C1CCCC(F)(F)C1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone?
The InChIKey is LFEIAIONNYVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c14-13(15)6-3-4-10(8-13)12(18)17-7-2-1-5-11(17)9-16/h10-11H,1-9,16H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone has a molecular weight of 260.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone is sourced from PubChem (CID 114226481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).