N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

C18H30N2 — CID 63532343

IUPACN,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCC1(CN(C)c2cc(C)cc(C)c2)CCNCC1
InChIInChI=1S/C18H30N2/c1-5-6-18(7-9-19-10-8-18)14-20(4)17-12-15(2)11-16(3)13-17/h11-13,19H,5-10,14H2,1-4H3
InChIKeyBGYBTGTWLHVCBT-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds5

About N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline

N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (PubChem CID 63532343) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
PubChem CID63532343
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
SMILESCCCC1(CN(C)c2cc(C)cc(C)c2)CCNCC1
InChIInChI=1S/C18H30N2/c1-5-6-18(7-9-19-10-8-18)14-20(4)17-12-15(2)11-16(3)13-17/h11-13,19H,5-10,14H2,1-4H3
InChIKeyBGYBTGTWLHVCBT-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,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline
CID 63122740
N,2,4-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 63532345
N,2-dimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 55178372
N-butyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 64584815
N-[(1-aminocyclopentyl)methyl]-N,3,5-trimethylaniline
CID 62002100
1-(4-chlorophenyl)-N-methyl-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129786
N-methyl-1-methylsulfanyl-N-[(4-propylpiperidin-4-yl)methyl]butan-2-amine
CID 112661069
N-ethyl-2-methyl-N-[(4-propylpiperidin-4-yl)methyl]prop-2-en-1-amine
CID 63129387
N-ethyl-2-methoxy-N-[(4-propylpiperidin-4-yl)methyl]ethanamine
CID 63129662
3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine
CID 64892237
1-(4-bromothiophen-2-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63142700
N,2-dimethyl-N-[(3-propylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143069

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline (CID 63532343) is N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is CCCC1(CN(C)c2cc(C)cc(C)c2)CCNCC1.
What is the InChIKey of N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
The InChIKey is BGYBTGTWLHVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-6-18(7-9-19-10-8-18)14-20(4)17-12-15(2)11-16(3)13-17/h11-13,19H,5-10,14H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline?
N,3,5-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,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 63532343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).