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

C19H32N2 — CID 29053338

IUPAC3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCC1CCN(CCCNCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H32N2/c1-16(2)19-7-5-18(6-8-19)15-20-11-4-12-21-13-9-17(3)10-14-21/h5-8,16-17,20H,4,9-15H2,1-3H3
InChIKeySWMGWDRQPNMWMP-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds7

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

3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine (PubChem CID 29053338) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
PubChem CID29053338
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
SMILESCC1CCN(CCCNCc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H32N2/c1-16(2)19-7-5-18(6-8-19)15-20-11-4-12-21-13-9-17(3)10-14-21/h5-8,16-17,20H,4,9-15H2,1-3H3
InChIKeySWMGWDRQPNMWMP-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylazepan-1-yl)-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142025150
2-(4-methylpiperidin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54807291
N-[(4-cyclopropylphenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 79978719
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
N'-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 113410382
N-[[4-(difluoromethyl)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115523506
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 79832437
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 28680024

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine (CID 29053338) is 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine is CC1CCN(CCCNCc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
The InChIKey is SWMGWDRQPNMWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)19-7-5-18(6-8-19)15-20-11-4-12-21-13-9-17(3)10-14-21/h5-8,16-17,20H,4,9-15H2,1-3H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 29053338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).