1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine

C16H26N2O — CID 116906835

IUPAC1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCOc1ccc(C(CC2CCCNC2)N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-18(2)16(11-13-5-4-10-17-12-13)14-6-8-15(19-3)9-7-14/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyPXZOZMNBTMTHCK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds5

About 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine

1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (PubChem CID 116906835) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
PubChem CID116906835
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
SMILESCOc1ccc(C(CC2CCCNC2)N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-18(2)16(11-13-5-4-10-17-12-13)14-6-8-15(19-3)9-7-14/h6-9,13,16-17H,4-5,10-12H2,1-3H3
InChIKeyPXZOZMNBTMTHCK-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116906713
1-(4-methoxyphenyl)-N,N-dimethyl-2-morpholin-2-ylethanamine
CID 116911091
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
CID 116906723
1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951547
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
1-(2,4-difluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906841
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
1-(3,4-dimethoxyphenyl)-2-piperidin-3-ylethanamine
CID 116936338

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine (CID 116906835) is 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is COc1ccc(C(CC2CCCNC2)N(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
The InChIKey is PXZOZMNBTMTHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(2)16(11-13-5-4-10-17-12-13)14-6-8-15(19-3)9-7-14/h6-9,13,16-17H,4-5,10-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine?
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116906835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).