[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride

C14H25ClN2O — CID 120727386

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)C2C3CCCC32)C1
InChIInChI=1S/C14H24N2O.ClH/c15-7-6-10-3-2-8-16(9-10)14(17)13-11-4-1-5-12(11)13;/h10-13H,1-9,15H2;1H
InChIKeyOEUHXSQWBSUBJG-UHFFFAOYSA-N
MW272.82 g/mol
LogP2.04
Rot. Bonds3

About [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride

[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride (PubChem CID 120727386) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
PubChem CID120727386
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)C2C3CCCC32)C1
InChIInChI=1S/C14H24N2O.ClH/c15-7-6-10-3-2-8-16(9-10)14(17)13-11-4-1-5-12(11)13;/h10-13H,1-9,15H2;1H
InChIKeyOEUHXSQWBSUBJG-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride with MolForge

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119485245
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
[3-(2-aminoethyl)piperidin-1-yl]-(5-methyloxolan-2-yl)methanone
CID 81330681
1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 63766130
1-[3-(2-aminoethyl)piperidin-1-yl]but-2-en-1-one
CID 77015507
azepan-1-yl(6-bicyclo[3.1.0]hexanyl)methanone
CID 79600645
7-bicyclo[4.1.0]heptanyl-(3-hydroxypiperidin-1-yl)methanone
CID 71984604
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
[3-(2-aminoethyl)piperidin-1-yl]-(4-bromophenyl)methanone;hydrochloride
CID 120727628

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride (CID 120727386) is [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride is Cl.NCCC1CCCN(C(=O)C2C3CCCC32)C1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride?
The InChIKey is OEUHXSQWBSUBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.ClH/c15-7-6-10-3-2-8-16(9-10)14(17)13-11-4-1-5-12(11)13;/h10-13H,1-9,15H2;1H.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride?
[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride has a molecular weight of 272.82 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride is sourced from PubChem (CID 120727386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).