N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

C18H30N2 — CID 63532345

IUPACN,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCC1(CN(C)c2ccc(C)cc2C)CCNCC1
InChIInChI=1S/C18H30N2/c1-5-8-18(9-11-19-12-10-18)14-20(4)17-7-6-15(2)13-16(17)3/h6-7,13,19H,5,8-12,14H2,1-4H3
InChIKeyWCENDCVEYMZAKI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds5

About N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (PubChem CID 63532345) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
PubChem CID63532345
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCC1(CN(C)c2ccc(C)cc2C)CCNCC1
InChIInChI=1S/C18H30N2/c1-5-8-18(9-11-19-12-10-18)14-20(4)17-7-6-15(2)13-16(17)3/h6-7,13,19H,5,8-12,14H2,1-4H3
InChIKeyWCENDCVEYMZAKI-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 55178372
N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 63532343
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2,4-trimethylaniline
CID 65010427
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2,4-trimethylaniline
CID 63740502
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786
1-[(N,2,4-trimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 63495824
N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 64584815
N,4-dimethyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 63121399
N,2,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 130492719
1-(N,2,4-trimethylanilino)pentan-2-ol
CID 62041498
2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol
CID 79856196
2-methyl-2-[(N,2,4-trimethylanilino)methyl]pentanoic acid
CID 62272164

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (CID 63532345) is N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is CCCC1(CN(C)c2ccc(C)cc2C)CCNCC1.
What is the InChIKey of N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The InChIKey is WCENDCVEYMZAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-8-18(9-11-19-12-10-18)14-20(4)17-7-6-15(2)13-16(17)3/h6-7,13,19H,5,8-12,14H2,1-4H3.
What are the key properties of N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline has a molecular weight of 274.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 63532345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).