2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine

C19H32N2 — CID 105346519

IUPAC2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
SMILESCC1CCCN(Cc2ccc(C(C)CNC(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-15(2)20-12-17(4)19-9-7-18(8-10-19)14-21-11-5-6-16(3)13-21/h7-10,15-17,20H,5-6,11-14H2,1-4H3
InChIKeyJAESCNPYABZNPG-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine

2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine (PubChem CID 105346519) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
PubChem CID105346519
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
SMILESCC1CCCN(Cc2ccc(C(C)CNC(C)C)cc2)C1
InChIInChI=1S/C19H32N2/c1-15(2)20-12-17(4)19-9-7-18(8-10-19)14-21-11-5-6-16(3)13-21/h7-10,15-17,20H,5-6,11-14H2,1-4H3
InChIKeyJAESCNPYABZNPG-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
N-ethyl-2-[4-[(4-methylazepan-1-yl)methyl]phenyl]propan-1-amine
CID 105347715
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
4-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
1-benzyl-3-methylpiperidine
CID 2794856
3-methyl-1-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butane-1,2-diamine
CID 83960955
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453780
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 125063633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine (CID 105346519) is 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine is CC1CCCN(Cc2ccc(C(C)CNC(C)C)cc2)C1.
What is the InChIKey of 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is JAESCNPYABZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)20-12-17(4)19-9-7-18(8-10-19)14-21-11-5-6-16(3)13-21/h7-10,15-17,20H,5-6,11-14H2,1-4H3.
What are the key properties of 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine?
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 105346519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).