[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone

C14H20N2O — CID 91529814

IUPAC[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
SMILESNCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c15-8-11-16-9-6-13(7-10-16)14(17)12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKeySZKABHKMYLPUIF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.54
Rot. Bonds4

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

[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone (PubChem CID 91529814) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
PubChem CID91529814
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone
SMILESNCCN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c15-8-11-16-9-6-13(7-10-16)14(17)12-4-2-1-3-5-12/h1-5,13H,6-11,15H2
InChIKeySZKABHKMYLPUIF-UHFFFAOYSA-N
XLogP1.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5R)-1-(2-aminoethyl)-5-benzoylpiperidin-3-yl]-phenylmethanone
CID 69173427
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
phenyl-[1-[2-[(R)-phenylsulfinyl]ethyl]piperidin-4-yl]methanone
CID 95330711
[1-(cyclopropylmethyl)piperidin-4-yl]-phenylmethanone
CID 136515283
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 56811485
propan-2-yl 3-(4-benzoylpiperidin-1-yl)propanoate
CID 56807214
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
[1-[(2R)-2-hydroxybutyl]piperidin-4-yl]-phenylmethanone
CID 111487256
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
CID 134116002
3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone (CID 91529814) is [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone is NCCN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is SZKABHKMYLPUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-8-11-16-9-6-13(7-10-16)14(17)12-4-2-1-3-5-12/h1-5,13H,6-11,15H2.
What are the key properties of [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone?
[1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 232.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 91529814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).