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

C16H26N2 — CID 63122740

IUPACN,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline
SMILESCc1cc(C)cc(N(C)CC2(C)CCNCC2)c1
InChIInChI=1S/C16H26N2/c1-13-9-14(2)11-15(10-13)18(4)12-16(3)5-7-17-8-6-16/h9-11,17H,5-8,12H2,1-4H3
InChIKeyDZIYMWXDMVKPGR-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.13
Rot. Bonds3

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

N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline (PubChem CID 63122740) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline
PubChem CID63122740
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline
SMILESCc1cc(C)cc(N(C)CC2(C)CCNCC2)c1
InChIInChI=1S/C16H26N2/c1-13-9-14(2)11-15(10-13)18(4)12-16(3)5-7-17-8-6-16/h9-11,17H,5-8,12H2,1-4H3
InChIKeyDZIYMWXDMVKPGR-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,5-trimethyl-N-[(4-propylpiperidin-4-yl)methyl]aniline
CID 63532343
N-[(1-aminocyclopentyl)methyl]-N,3,5-trimethylaniline
CID 62002100
3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine
CID 64892237
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 63122886
2-(N,3,5-trimethylanilino)acetonitrile
CID 61036155
3-[(N,3,5-trimethylanilino)methyl]oxolane-3-carboxylic acid
CID 62270868
4-(3,5-dimethylphenyl)piperidin-4-ol
CID 23149822
4-N-methyl-4-N-(4-methylpiperidin-4-yl)benzene-1,4-diamine
CID 121430066
1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine
CID 63122734
2,4,6-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720191
2-methyl-N-[(4-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)propan-1-amine
CID 63122710
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 79488257

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline (CID 63122740) is N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline is Cc1cc(C)cc(N(C)CC2(C)CCNCC2)c1.
What is the InChIKey of N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is DZIYMWXDMVKPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-9-14(2)11-15(10-13)18(4)12-16(3)5-7-17-8-6-16/h9-11,17H,5-8,12H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline?
N,3,5-trimethyl-N-[(4-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.13, 3 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-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 63122740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).