[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone

C10H18N2O — CID 80587175

IUPAC[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESNCC1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C10H18N2O/c11-8-10(4-5-10)9(13)12-6-2-1-3-7-12/h1-8,11H2
InChIKeyGXXCMSMDKFXIEN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.74
Rot. Bonds2

About [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone

[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 80587175) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
PubChem CID80587175
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESNCC1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C10H18N2O/c11-8-10(4-5-10)9(13)12-6-2-1-3-7-12/h1-8,11H2
InChIKeyGXXCMSMDKFXIEN-UHFFFAOYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
CID 80598636
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
1-[4-[1-(aminomethyl)cyclopropanecarbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115452797
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404093
[1-(aminomethyl)cyclopropyl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220721
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
[1-(1-pyrrolidin-1-ylethenyl)cyclopropyl]methanamine
CID 167104242
2-[4-[1-(aminomethyl)cyclopentanecarbonyl]-1,4-diazepan-1-yl]acetic acid
CID 115435248
ethyl 1-[1-(aminomethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
CID 113312720
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
[1-(aminomethyl)cyclopropyl]-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 80599587

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone (CID 80587175) is [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone is NCC1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is GXXCMSMDKFXIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-8-10(4-5-10)9(13)12-6-2-1-3-7-12/h1-8,11H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone?
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 182.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 80587175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).