[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride

C10H17ClF2N2O — CID 166595294

IUPAC[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C10H16F2N2O.ClH/c11-10(12)4-7(5-10)9(15)14-3-1-2-8(13)6-14;/h7-8H,1-6,13H2;1H/t8-;/m0./s1
InChIKeySIXSXJXDBNNABH-QRPNPIFTSA-N
MW254.71 g/mol
LogP1.40
Rot. Bonds1

About [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride

[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (PubChem CID 166595294) has the molecular formula C10H17ClF2N2O and a molecular weight of 254.71 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
PubChem CID166595294
Molecular FormulaC10H17ClF2N2O
Molecular Weight254.71 g/mol
Exact Mass254.10
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C10H16F2N2O.ClH/c11-10(12)4-7(5-10)9(15)14-3-1-2-8(13)6-14;/h7-8H,1-6,13H2;1H/t8-;/m0./s1
InChIKeySIXSXJXDBNNABH-QRPNPIFTSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
[(3R)-3-aminopiperidin-1-yl]-(2,2-difluorocyclopropyl)methanone;hydrochloride
CID 165368966
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride
CID 130874964
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride (CID 166595294) is [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride is Cl.N[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
The InChIKey is SIXSXJXDBNNABH-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H16F2N2O.ClH/c11-10(12)4-7(5-10)9(15)14-3-1-2-8(13)6-14;/h7-8H,1-6,13H2;1H/t8-;/m0./s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride?
[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride has a molecular weight of 254.71 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 166595294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).