N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C18H31N3O — CID 24732624

IUPACN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCN2CCC(NCCN(C)C)CC2)cc1
InChIInChI=1S/C18H31N3O/c1-20(2)15-11-19-17-9-13-21(14-10-17)12-8-16-4-6-18(22-3)7-5-16/h4-7,17,19H,8-15H2,1-3H3
InChIKeyJWWHQNCLAQZUIR-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.85
Rot. Bonds8

About N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 24732624) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID24732624
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc(CCN2CCC(NCCN(C)C)CC2)cc1
InChIInChI=1S/C18H31N3O/c1-20(2)15-11-19-17-9-13-21(14-10-17)12-8-16-4-6-18(22-3)7-5-16/h4-7,17,19H,8-15H2,1-3H3
InChIKeyJWWHQNCLAQZUIR-UHFFFAOYSA-N
XLogP1.85
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 24732624) is N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is COc1ccc(CCN2CCC(NCCN(C)C)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JWWHQNCLAQZUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-20(2)15-11-19-17-9-13-21(14-10-17)12-8-16-4-6-18(22-3)7-5-16/h4-7,17,19H,8-15H2,1-3H3.
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 305.47 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 24732624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).