2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride

C12H24ClN3O — CID 119916251

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CN1CCCCC1CN)C1CC1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-14(10-5-6-10)12(16)9-15-7-3-2-4-11(15)8-13;/h10-11H,2-9,13H2,1H3;1H
InChIKeyPVRAQENMBZQMPA-UHFFFAOYSA-N
MW261.80 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride

2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride (PubChem CID 119916251) has the molecular formula C12H24ClN3O and a molecular weight of 261.80 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
PubChem CID119916251
Molecular FormulaC12H24ClN3O
Molecular Weight261.80 g/mol
Exact Mass261.16
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CN1CCCCC1CN)C1CC1.Cl
InChIInChI=1S/C12H23N3O.ClH/c1-14(10-5-6-10)12(16)9-15-7-3-2-4-11(15)8-13;/h10-11H,2-9,13H2,1H3;1H
InChIKeyPVRAQENMBZQMPA-UHFFFAOYSA-N
XLogP0.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.80
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
N-cyclopropyl-N-methyl-2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63848709
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
N-cyclopropyl-2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-methylacetamide
CID 55258180
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63839894
N-cyclopropyl-N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928619
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 103441770
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119916209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride (CID 119916251) is 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride is CN(C(=O)CN1CCCCC1CN)C1CC1.Cl.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride?
The InChIKey is PVRAQENMBZQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.ClH/c1-14(10-5-6-10)12(16)9-15-7-3-2-4-11(15)8-13;/h10-11H,2-9,13H2,1H3;1H.
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride?
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride has a molecular weight of 261.80 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119916251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).