[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride

C14H24Cl2N2 — CID 169489236

IUPAC[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
SMILESCc1cc(N2CCCCC2C)ccc1CN.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-11-9-14(7-6-13(11)10-15)16-8-4-3-5-12(16)2;;/h6-7,9,12H,3-5,8,10,15H2,1-2H3;2*1H
InChIKeyQUSOONWHRRSOTK-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.68
Rot. Bonds2

About [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride

[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride (PubChem CID 169489236) has the molecular formula C14H24Cl2N2 and a molecular weight of 291.27 g/mol. Its IUPAC name is [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
PubChem CID169489236
Molecular FormulaC14H24Cl2N2
Molecular Weight291.27 g/mol
Exact Mass290.13
IUPAC Name[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
SMILESCc1cc(N2CCCCC2C)ccc1CN.Cl.Cl
InChIInChI=1S/C14H22N2.2ClH/c1-11-9-14(7-6-13(11)10-15)16-8-4-3-5-12(16)2;;/h6-7,9,12H,3-5,8,10,15H2,1-2H3;2*1H
InChIKeyQUSOONWHRRSOTK-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.68
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

[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride
CID 169489145
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927
3-[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]prop-2-enoic acid
CID 76936659
[4-(3-ethylpiperidin-1-yl)-2-methylphenyl]methanamine
CID 62135363

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride (CID 169489236) is [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride is Cc1cc(N2CCCCC2C)ccc1CN.Cl.Cl.
What is the InChIKey of [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is QUSOONWHRRSOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.2ClH/c1-11-9-14(7-6-13(11)10-15)16-8-4-3-5-12(16)2;;/h6-7,9,12H,3-5,8,10,15H2,1-2H3;2*1H.
What are the key properties of [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride?
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 291.27 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 169489236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).