4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline

C14H22N2 — CID 94675572

IUPAC4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
SMILESCc1cc(N)c(N2CCCC[C@@H]2C)cc1C
InChIInChI=1S/C14H22N2/c1-10-8-13(15)14(9-11(10)2)16-7-5-4-6-12(16)3/h8-9,12H,4-7,15H2,1-3H3/t12-/m0/s1
InChIKeyLLQXYNMTXWBJMT-LBPRGKRZSA-N
MW218.34 g/mol
LogP3.26
Rot. Bonds1

About 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline

4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline (PubChem CID 94675572) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline.

Molecular Properties

Compound Name4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
PubChem CID94675572
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline
SMILESCc1cc(N)c(N2CCCC[C@@H]2C)cc1C
InChIInChI=1S/C14H22N2/c1-10-8-13(15)14(9-11(10)2)16-7-5-4-6-12(16)3/h8-9,12H,4-7,15H2,1-3H3/t12-/m0/s1
InChIKeyLLQXYNMTXWBJMT-LBPRGKRZSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-(2-methylpyrrolidin-1-yl)aniline
CID 83001444
2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-4,5-dimethylaniline
CID 129452350
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
4-methyl-5-[(2R)-2-methylpiperidin-1-yl]-2-nitroaniline
CID 99968922
3-amino-4-[(2R)-2-methylpiperidin-1-yl]benzonitrile
CID 30031874
6-(2-methylazepan-1-yl)-1H-indazol-5-amine
CID 107490347
5-methyl-2-(2-methylpiperidin-1-yl)pyridin-4-amine
CID 83265979
5-bromo-4-fluoro-2-(2-methylpyrrolidin-1-yl)aniline
CID 66110125
5-bromo-4-fluoro-2-[(2R)-2-methylpyrrolidin-1-yl]aniline
CID 168927625
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline?
The IUPAC name of 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline (CID 94675572) is 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline.
What is the SMILES notation for 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline?
The canonical SMILES for 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline is Cc1cc(N)c(N2CCCC[C@@H]2C)cc1C.
What is the InChIKey of 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline?
The InChIKey is LLQXYNMTXWBJMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-8-13(15)14(9-11(10)2)16-7-5-4-6-12(16)3/h8-9,12H,4-7,15H2,1-3H3/t12-/m0/s1.
What are the key properties of 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline?
4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline has a molecular weight of 218.34 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(2S)-2-methylpiperidin-1-yl]aniline is sourced from PubChem (CID 94675572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).