(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride

C9H15Cl3N2O — CID 130874964

IUPAC(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2CC2(Cl)Cl)C1
InChIInChI=1S/C9H14Cl2N2O.ClH/c10-9(11)4-7(9)8(14)13-3-1-2-6(12)5-13;/h6-7H,1-5,12H2;1H
InChIKeyLAUIIONGZJFGGX-UHFFFAOYSA-N
MW273.59 g/mol
LogP1.55
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride (PubChem CID 130874964) has the molecular formula C9H15Cl3N2O and a molecular weight of 273.59 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride
PubChem CID130874964
Molecular FormulaC9H15Cl3N2O
Molecular Weight273.59 g/mol
Exact Mass272.02
IUPAC Name(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)C2CC2(Cl)Cl)C1
InChIInChI=1S/C9H14Cl2N2O.ClH/c10-9(11)4-7(9)8(14)13-3-1-2-6(12)5-13;/h6-7H,1-5,12H2;1H
InChIKeyLAUIIONGZJFGGX-UHFFFAOYSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(2,2-difluorocyclopropyl)methanone;hydrochloride
CID 165368966
[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595294
(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119379514
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
(2,2-dichlorocyclopropyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561130
(3-aminopiperidin-1-yl)-(4-hydroxycyclohexyl)methanone
CID 112531005
[(1S)-2,2-dichlorocyclopropyl]-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 129422315
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
(3-aminopiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 121200535
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride (CID 130874964) is (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride is Cl.NC1CCCN(C(=O)C2CC2(Cl)Cl)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride?
The InChIKey is LAUIIONGZJFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2O.ClH/c10-9(11)4-7(9)8(14)13-3-1-2-6(12)5-13;/h6-7H,1-5,12H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride has a molecular weight of 273.59 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2,2-dichlorocyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 130874964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).