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

C19H32N2 — CID 62413529

IUPACN-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCCN(Cc2ccccc2CNC(C)(C)C)C1C
InChIInChI=1S/C19H32N2/c1-15-9-8-12-21(16(15)2)14-18-11-7-6-10-17(18)13-20-19(3,4)5/h6-7,10-11,15-16,20H,8-9,12-14H2,1-5H3
InChIKeyBDKGWXLSRCGGND-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.20
Rot. Bonds4

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

N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62413529) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62413529
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CCCN(Cc2ccccc2CNC(C)(C)C)C1C
InChIInChI=1S/C19H32N2/c1-15-9-8-12-21(16(15)2)14-18-11-7-6-10-17(18)13-20-19(3,4)5/h6-7,10-11,15-16,20H,8-9,12-14H2,1-5H3
InChIKeyBDKGWXLSRCGGND-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462840
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472034
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
[3-[(2,3-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 62895699
2-bromo-3-[(2,3-dimethylpiperidin-1-yl)methyl]aniline
CID 114048507
1-[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413521
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 63059247
1-(2,3-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 55068472
N-[[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 83220031
N-[[3-[(2,3-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62413363
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
CID 62580013
2-[(tert-butylamino)methyl]-N-methyl-N-(2-methylcyclohexyl)aniline
CID 63551947

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62413529) is N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CC1CCCN(Cc2ccccc2CNC(C)(C)C)C1C.
What is the InChIKey of N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BDKGWXLSRCGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-9-8-12-21(16(15)2)14-18-11-7-6-10-17(18)13-20-19(3,4)5/h6-7,10-11,15-16,20H,8-9,12-14H2,1-5H3.
What are the key properties of N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62413529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).