N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline

C15H24N2 — CID 106741023

IUPACN,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline
SMILESCc1ccc(N(C)CC2CCNC(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-15(7-5-12)17(3)11-14-8-9-16-13(2)10-14/h4-7,13-14,16H,8-11H2,1-3H3
InChIKeyBHTXMDWCLKVRSO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.82
Rot. Bonds3

About N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline

N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline (PubChem CID 106741023) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline
PubChem CID106741023
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline
SMILESCc1ccc(N(C)CC2CCNC(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-15(7-5-12)17(3)11-14-8-9-16-13(2)10-14/h4-7,13-14,16H,8-11H2,1-3H3
InChIKeyBHTXMDWCLKVRSO-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[(4-methylphenyl)methyl]piperidine
CID 106777755
N,2-dimethyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 106739900
N,4-dimethyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82916858
N-methyl-4-(2-methylpropyl)-N-(piperidin-4-ylmethyl)aniline
CID 115209862
N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
CID 106740883
4-ethyl-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 62002097
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,4-dimethylaniline
CID 102894459
N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]pentan-2-amine
CID 106740989
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
N-ethyl-N-[(2-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 106740869
N-ethyl-2-fluoro-N-[(2-methylpiperidin-4-yl)methyl]aniline
CID 106741025
N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 106740967

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline (CID 106741023) is N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline is Cc1ccc(N(C)CC2CCNC(C)C2)cc1.
What is the InChIKey of N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is BHTXMDWCLKVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-4-6-15(7-5-12)17(3)11-14-8-9-16-13(2)10-14/h4-7,13-14,16H,8-11H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline?
N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 106741023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).