[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine

C16H26N2 — CID 107926173

IUPAC[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
SMILESCCCC1CCN(c2ccc(C)cc2CN)CC1
InChIInChI=1S/C16H26N2/c1-3-4-14-7-9-18(10-8-14)16-6-5-13(2)11-15(16)12-17/h5-6,11,14H,3-4,7-10,12,17H2,1-2H3
InChIKeyWQTCDFRKEPWWGY-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.47
Rot. Bonds4

About [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine

[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine (PubChem CID 107926173) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
PubChem CID107926173
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
SMILESCCCC1CCN(c2ccc(C)cc2CN)CC1
InChIInChI=1S/C16H26N2/c1-3-4-14-7-9-18(10-8-14)16-6-5-13(2)11-15(16)12-17/h5-6,11,14H,3-4,7-10,12,17H2,1-2H3
InChIKeyWQTCDFRKEPWWGY-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
CID 107926168
1-[2-(bromomethyl)-4-methylphenyl]-4-propylazepane
CID 114054707
[2-(azetidin-1-yl)-5-methylphenyl]methanamine
CID 126980462
[4-chloro-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 63081802
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
3-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 62200933
4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
CID 62700990
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-3,4-diol
CID 107926386
[2-[4-(methoxymethyl)piperidin-1-yl]-4-methylphenyl]methanamine
CID 63973998
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63782755
[2-(3,4-dimethoxypyrrolidin-1-yl)-5-methylphenyl]methanamine
CID 114016674
5-bromo-2-methyl-4-(4-propylpiperidin-1-yl)aniline
CID 114048234

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
The IUPAC name of [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine (CID 107926173) is [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine is CCCC1CCN(c2ccc(C)cc2CN)CC1.
What is the InChIKey of [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
The InChIKey is WQTCDFRKEPWWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-14-7-9-18(10-8-14)16-6-5-13(2)11-15(16)12-17/h5-6,11,14H,3-4,7-10,12,17H2,1-2H3.
What are the key properties of [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine?
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 107926173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).