[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride

C11H19ClF2N2O — CID 166595296

IUPAC[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C11H18F2N2O.ClH/c12-11(13)4-9(5-11)10(16)15-3-1-2-8(6-14)7-15;/h8-9H,1-7,14H2;1H
InChIKeyUHIHNEICDIAKJD-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.65
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (PubChem CID 166595296) has the molecular formula C11H19ClF2N2O and a molecular weight of 268.73 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
PubChem CID166595296
Molecular FormulaC11H19ClF2N2O
Molecular Weight268.73 g/mol
Exact Mass268.12
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C11H18F2N2O.ClH/c12-11(13)4-9(5-11)10(16)15-3-1-2-8(6-14)7-15;/h8-9H,1-7,14H2;1H
InChIKeyUHIHNEICDIAKJD-UHFFFAOYSA-N
XLogP1.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595294
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[2-(aminomethyl)pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 119634302
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
CID 119464992
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476448
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
CID 62759775
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (CID 166595296) is [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride is Cl.NCC1CCCN(C(=O)C2CC(F)(F)C2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The InChIKey is UHIHNEICDIAKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O.ClH/c12-11(13)4-9(5-11)10(16)15-3-1-2-8(6-14)7-15;/h8-9H,1-7,14H2;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride has a molecular weight of 268.73 g/mol, XLogP of 1.65, 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]-(3,3-difluorocyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 166595296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).