[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone

C14H20N2O — CID 116917513

IUPAC[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone
SMILESCN1CCCC(C(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2O/c1-16-8-2-3-13(10-16)14(17)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyAXYWQNZQKHUJAD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.67
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone

[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone (PubChem CID 116917513) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone
PubChem CID116917513
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone
SMILESCN1CCCC(C(=O)c2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2O/c1-16-8-2-3-13(10-16)14(17)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10,15H2,1H3
InChIKeyAXYWQNZQKHUJAD-UHFFFAOYSA-N
XLogP1.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
(4-bromophenyl)-(1-methylpyrrolidin-3-yl)methanone
CID 68951075
(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55029111
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone
CID 145118570
[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone (CID 116917513) is [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone is CN1CCCC(C(=O)c2ccc(CN)cc2)C1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone?
The InChIKey is AXYWQNZQKHUJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-8-2-3-13(10-16)14(17)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone?
[4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 116917513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).