N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine

C20H26N2O2 — CID 22111110

IUPACN-[bis(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(C(NC2CCNCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-23-18-7-3-15(4-8-18)20(22-17-11-13-21-14-12-17)16-5-9-19(24-2)10-6-16/h3-10,17,20-22H,11-14H2,1-2H3
InChIKeyODSCALFIZGMDOP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.13
Rot. Bonds6

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

N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 22111110) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID22111110
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[bis(4-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(C(NC2CCNCC2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-23-18-7-3-15(4-8-18)20(22-17-11-13-21-14-12-17)16-5-9-19(24-2)10-6-16/h3-10,17,20-22H,11-14H2,1-2H3
InChIKeyODSCALFIZGMDOP-UHFFFAOYSA-N
XLogP3.13
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
1-(4-methoxyphenyl)-2-piperidin-4-ylethanol
CID 84698858
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
N-(6-methoxynaphthalen-2-yl)piperidin-4-amine
CID 115118397
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
CID 164631617
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine (CID 22111110) is N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine is COc1ccc(C(NC2CCNCC2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is ODSCALFIZGMDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-18-7-3-15(4-8-18)20(22-17-11-13-21-14-12-17)16-5-9-19(24-2)10-6-16/h3-10,17,20-22H,11-14H2,1-2H3.
What are the key properties of N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine?
N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 22111110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).