[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone

C14H20N2O — CID 22983162

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
SMILESCNCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c1-15-11-12-7-9-16(10-8-12)14(17)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyZDGHCHPEYFCGLI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds3

About [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone

[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone (PubChem CID 22983162) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
PubChem CID22983162
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
SMILESCNCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C14H20N2O/c1-15-11-12-7-9-16(10-8-12)14(17)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3
InChIKeyZDGHCHPEYFCGLI-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63248675
N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119545134
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[4-(methylaminomethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 119545556
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone (CID 22983162) is [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone is CNCC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is ZDGHCHPEYFCGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-11-12-7-9-16(10-8-12)14(17)13-5-3-2-4-6-13/h2-6,12,15H,7-11H2,1H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone?
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 232.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 22983162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).