N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C19H32N2 — CID 62424303

IUPACN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC(C)CN(Cc2ccc(CNC(C)(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-15-10-16(2)13-21(12-15)14-18-8-6-17(7-9-18)11-20-19(3,4)5/h6-9,15-16,20H,10-14H2,1-5H3
InChIKeyGEQXZABYWJCIMH-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds4

About N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62424303) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62424303
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CC(C)CN(Cc2ccc(CNC(C)(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-15-10-16(2)13-21(12-15)14-18-8-6-17(7-9-18)11-20-19(3,4)5/h6-9,15-16,20H,10-14H2,1-5H3
InChIKeyGEQXZABYWJCIMH-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
cis-(1S,2R)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 99845322
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
N-[[4-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
CID 64734740
1-[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111154
2-methyl-N-[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 105346515
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62438146
1-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 129415216

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62424303) is N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CC1CC(C)CN(Cc2ccc(CNC(C)(C)C)cc2)C1.
What is the InChIKey of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GEQXZABYWJCIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-10-16(2)13-21(12-15)14-18-8-6-17(7-9-18)11-20-19(3,4)5/h6-9,15-16,20H,10-14H2,1-5H3.
What are the key properties of N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62424303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).