1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine

C18H30N2 — CID 83053735

IUPAC1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1C(c1cccc(C)c1)C(C)N
InChIInChI=1S/C18H30N2/c1-4-8-17-11-5-6-12-20(17)18(15(3)19)16-10-7-9-14(2)13-16/h7,9-10,13,15,17-18H,4-6,8,11-12,19H2,1-3H3
InChIKeyLIWXQEQBEHJSOJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.04
Rot. Bonds5

About 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine

1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine (PubChem CID 83053735) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
PubChem CID83053735
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1C(c1cccc(C)c1)C(C)N
InChIInChI=1S/C18H30N2/c1-4-8-17-11-5-6-12-20(17)18(15(3)19)16-10-7-9-14(2)13-16/h7,9-10,13,15,17-18H,4-6,8,11-12,19H2,1-3H3
InChIKeyLIWXQEQBEHJSOJ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053219
1-(4-fluorophenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053529
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
1-(1-methylpyrazol-4-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83052284
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053523
1-(3-ethylmorpholin-4-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020122
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
N-methyl-1-(3-methylphenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052318
1-phenyl-2-(2-propylpiperidin-1-yl)propan-1-ol
CID 83062205
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053424
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739
2-(2,6-difluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83053654

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine (CID 83053735) is 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine is CCCC1CCCCN1C(c1cccc(C)c1)C(C)N.
What is the InChIKey of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The InChIKey is LIWXQEQBEHJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-8-17-11-5-6-12-20(17)18(15(3)19)16-10-7-9-14(2)13-16/h7,9-10,13,15,17-18H,4-6,8,11-12,19H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 83053735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).