1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one

C23H30N2O — CID 23587223

IUPAC1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one
SMILESNCc1cccc(C2CCN(C(=O)CCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O/c24-18-20-10-6-11-22(17-20)21-13-15-25(16-14-21)23(26)12-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-11,17,21H,4-5,9,12-16,18,24H2
InChIKeyIVUPTHMLXRHVCI-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.26
Rot. Bonds7

About 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one

1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one (PubChem CID 23587223) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one
PubChem CID23587223
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one
SMILESNCc1cccc(C2CCN(C(=O)CCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O/c24-18-20-10-6-11-22(17-20)21-13-15-25(16-14-21)23(26)12-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-11,17,21H,4-5,9,12-16,18,24H2
InChIKeyIVUPTHMLXRHVCI-UHFFFAOYSA-N
XLogP4.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-4-phenylbut-3-en-1-one
CID 74066906
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
4-[3-(5-phenylpentanoylamino)phenyl]piperidine-1-carboxylic acid
CID 68865260
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 23587168
[4-[2-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-2-oxoethyl]phenyl]boronic acid
CID 67115113
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one (CID 23587223) is 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one is NCc1cccc(C2CCN(C(=O)CCCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one?
The InChIKey is IVUPTHMLXRHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c24-18-20-10-6-11-22(17-20)21-13-15-25(16-14-21)23(26)12-5-4-9-19-7-2-1-3-8-19/h1-3,6-8,10-11,17,21H,4-5,9,12-16,18,24H2.
What are the key properties of 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one?
1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one has a molecular weight of 350.51 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 23587223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).