[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone

C19H30N2O — CID 22628177

IUPAC[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone
SMILESCC(C)N(Cc1ccc(C(=O)C2CCNCC2)cc1)C(C)C
InChIInChI=1S/C19H30N2O/c1-14(2)21(15(3)4)13-16-5-7-17(8-6-16)19(22)18-9-11-20-12-10-18/h5-8,14-15,18,20H,9-13H2,1-4H3
InChIKeyKHZYYMHKKUPQQG-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.49
Rot. Bonds6

About [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone

[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone (PubChem CID 22628177) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone
PubChem CID22628177
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone
SMILESCC(C)N(Cc1ccc(C(=O)C2CCNCC2)cc1)C(C)C
InChIInChI=1S/C19H30N2O/c1-14(2)21(15(3)4)13-16-5-7-17(8-6-16)19(22)18-9-11-20-12-10-18/h5-8,14-15,18,20H,9-13H2,1-4H3
InChIKeyKHZYYMHKKUPQQG-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone 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-(3-methylbutyl)phenyl]-piperidin-4-ylmethanone;hydrochloride
CID 162315237
[4-(2-hydroxyethyl)phenyl]-piperidin-4-ylmethanone
CID 20613864
(4-hydroxyphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 13180305
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanone
CID 83689928
[3-(2-methylpropyl)phenyl]-piperidin-4-ylmethanone
CID 116547715
1-[4-[[di(propan-2-yl)amino]methyl]phenyl]-2-hydroxyethanone
CID 148581164
piperidin-4-yl-(4-propylsulfanylphenyl)methanone
CID 82553748
[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
piperidin-4-yl-(4-trimethylsilyloxyphenyl)methanone
CID 167722571
N-[(4-nitrophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119302702
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
(4-bromo-3-methylphenyl)-piperidin-4-ylmethanone
CID 82553719

Frequently Asked Questions

What is the IUPAC name of [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone?
The IUPAC name of [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone (CID 22628177) is [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone is CC(C)N(Cc1ccc(C(=O)C2CCNCC2)cc1)C(C)C.
What is the InChIKey of [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone?
The InChIKey is KHZYYMHKKUPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14(2)21(15(3)4)13-16-5-7-17(8-6-16)19(22)18-9-11-20-12-10-18/h5-8,14-15,18,20H,9-13H2,1-4H3.
What are the key properties of [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone?
[4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone has a molecular weight of 302.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[di(propan-2-yl)amino]methyl]phenyl]-piperidin-4-ylmethanone is sourced from PubChem (CID 22628177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).