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

C13H25ClN2O — CID 119465050

IUPAC[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CCCC(CN)C2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-2-5-13(6-7-13)12(16)15-8-3-4-11(9-14)10-15;/h11H,2-10,14H2,1H3;1H
InChIKeyMFMDLTSTMBWSDW-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.19
Rot. Bonds4

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

[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride (PubChem CID 119465050) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
PubChem CID119465050
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CCCC(CN)C2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-2-5-13(6-7-13)12(16)15-8-3-4-11(9-14)10-15;/h11H,2-10,14H2,1H3;1H
InChIKeyMFMDLTSTMBWSDW-UHFFFAOYSA-N
XLogP2.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
CID 119380695
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119412481
[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119492357
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119545957
N-[[1-[1-(aminomethyl)cyclopropanecarbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 115452903
[3-(aminomethyl)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476448
ethyl 2-[3-(aminomethyl)piperidin-1-yl]-2-oxoacetate
CID 117126470
[1-(aminomethyl)cyclopropyl]-(3-propoxypiperidin-1-yl)methanone
CID 80587134
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 120658201

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride (CID 119465050) is [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride is CCCC1(C(=O)N2CCCC(CN)C2)CC1.Cl.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
The InChIKey is MFMDLTSTMBWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-2-5-13(6-7-13)12(16)15-8-3-4-11(9-14)10-15;/h11H,2-10,14H2,1H3;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.19, 4 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]-(1-propylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119465050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).