2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline

C17H28N2 — CID 129171229

IUPAC2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline
SMILESCCCN1CCCCC1CNc1c(C)cccc1C
InChIInChI=1S/C17H28N2/c1-4-11-19-12-6-5-10-16(19)13-18-17-14(2)8-7-9-15(17)3/h7-9,16,18H,4-6,10-13H2,1-3H3
InChIKeyYHGLFWZHVVOVLO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.98
Rot. Bonds5

About 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline

2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline (PubChem CID 129171229) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline
PubChem CID129171229
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline
SMILESCCCN1CCCCC1CNc1c(C)cccc1C
InChIInChI=1S/C17H28N2/c1-4-11-19-12-6-5-10-16(19)13-18-17-14(2)8-7-9-15(17)3/h7-9,16,18H,4-6,10-13H2,1-3H3
InChIKeyYHGLFWZHVVOVLO-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
1-[(2S)-2-[(2,6-dimethylanilino)methyl]pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 58890989
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
3-methyl-2-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106022154
N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
CID 54807240
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
4-(azepan-1-yl)-N-[(1-propylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
CID 66903623
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline (CID 129171229) is 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline is CCCN1CCCCC1CNc1c(C)cccc1C.
What is the InChIKey of 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline?
The InChIKey is YHGLFWZHVVOVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-11-19-12-6-5-10-16(19)13-18-17-14(2)8-7-9-15(17)3/h7-9,16,18H,4-6,10-13H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline?
2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-propylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 129171229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).