N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride

C13H22Cl2N2O — CID 53255554

IUPACN-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
SMILESCOc1ccc(CNC2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-16-13-4-2-11(3-5-13)10-15-12-6-8-14-9-7-12;;/h2-5,12,14-15H,6-10H2,1H3;2*1H
InChIKeyVTQODYCNBLZPCY-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.38
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride

N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride (PubChem CID 53255554) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
PubChem CID53255554
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC NameN-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
SMILESCOc1ccc(CNC2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-16-13-4-2-11(3-5-13)10-15-12-6-8-14-9-7-12;;/h2-5,12,14-15H,6-10H2,1H3;2*1H
InChIKeyVTQODYCNBLZPCY-UHFFFAOYSA-N
XLogP2.38
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride (CID 53255554) is N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride is COc1ccc(CNC2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is VTQODYCNBLZPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-16-13-4-2-11(3-5-13)10-15-12-6-8-14-9-7-12;;/h2-5,12,14-15H,6-10H2,1H3;2*1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride?
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 53255554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).