1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine

C16H26N2O — CID 117411127

IUPAC1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine
SMILESCOc1cc(CC2CCCCN2)cc(CN(C)C)c1
InChIInChI=1S/C16H26N2O/c1-18(2)12-14-8-13(10-16(11-14)19-3)9-15-6-4-5-7-17-15/h8,10-11,15,17H,4-7,9,12H2,1-3H3
InChIKeyYXCDNGDAPGVTNI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds5

About 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine

1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine (PubChem CID 117411127) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine
PubChem CID117411127
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine
SMILESCOc1cc(CC2CCCCN2)cc(CN(C)C)c1
InChIInChI=1S/C16H26N2O/c1-18(2)12-14-8-13(10-16(11-14)19-3)9-15-6-4-5-7-17-15/h8,10-11,15,17H,4-7,9,12H2,1-3H3
InChIKeyYXCDNGDAPGVTNI-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
5-methoxy-2-(piperidin-2-ylmethyl)pyrimidine
CID 117231656
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine (CID 117411127) is 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine is COc1cc(CC2CCCCN2)cc(CN(C)C)c1.
What is the InChIKey of 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine?
The InChIKey is YXCDNGDAPGVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)12-14-8-13(10-16(11-14)19-3)9-15-6-4-5-7-17-15/h8,10-11,15,17H,4-7,9,12H2,1-3H3.
What are the key properties of 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine?
1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 117411127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).