[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone

C17H24N2O — CID 81478205

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCC(N)C1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-12(18)13-7-9-19(10-8-13)17(20)16-11-15(16)14-5-3-2-4-6-14/h2-6,12-13,15-16H,7-11,18H2,1H3
InChIKeyQYGDEEYVRANQSE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.38
Rot. Bonds3

About [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 81478205) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID81478205
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESCC(N)C1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O/c1-12(18)13-7-9-19(10-8-13)17(20)16-11-15(16)14-5-3-2-4-6-14/h2-6,12-13,15-16H,7-11,18H2,1H3
InChIKeyQYGDEEYVRANQSE-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 119516884
[4-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119519297
[4-(1-aminoethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119518806
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 119519871
[4-(1-aminoethyl)piperidin-1-yl]-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanone
CID 119520451
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 81368111
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone (CID 81478205) is [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone is CC(N)C1CCN(C(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is QYGDEEYVRANQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(18)13-7-9-19(10-8-13)17(20)16-11-15(16)14-5-3-2-4-6-14/h2-6,12-13,15-16H,7-11,18H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 272.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 81478205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).