N-(3-methylphenyl)piperidin-4-amine;dihydrochloride

C12H20Cl2N2 — CID 66545678

IUPACN-(3-methylphenyl)piperidin-4-amine;dihydrochloride
SMILESCc1cccc(NC2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11;;/h2-4,9,11,13-14H,5-8H2,1H3;2*1H
InChIKeyUOPLPINHVZTOLU-UHFFFAOYSA-N
MW263.21 g/mol
LogP3.00
Rot. Bonds2

About N-(3-methylphenyl)piperidin-4-amine;dihydrochloride

N-(3-methylphenyl)piperidin-4-amine;dihydrochloride (PubChem CID 66545678) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is N-(3-methylphenyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)piperidin-4-amine;dihydrochloride
PubChem CID66545678
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC NameN-(3-methylphenyl)piperidin-4-amine;dihydrochloride
SMILESCc1cccc(NC2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C12H18N2.2ClH/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11;;/h2-4,9,11,13-14H,5-8H2,1H3;2*1H
InChIKeyUOPLPINHVZTOLU-UHFFFAOYSA-N
XLogP3.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of N-(3-methylphenyl)piperidin-4-amine;dihydrochloride (CID 66545678) is N-(3-methylphenyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-(3-methylphenyl)piperidin-4-amine;dihydrochloride is Cc1cccc(NC2CCNCC2)c1.Cl.Cl.
What is the InChIKey of N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
The InChIKey is UOPLPINHVZTOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2ClH/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11;;/h2-4,9,11,13-14H,5-8H2,1H3;2*1H.
What are the key properties of N-(3-methylphenyl)piperidin-4-amine;dihydrochloride?
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride has a molecular weight of 263.21 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 66545678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).