1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine

C16H26N2O — CID 63251056

IUPAC1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(15-4-6-16(19-3)7-5-15)18-10-8-14(9-11-18)12-17-2/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyGBHKGERPUNEXHI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.69
Rot. Bonds5

About 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 63251056) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID63251056
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(15-4-6-16(19-3)7-5-15)18-10-8-14(9-11-18)12-17-2/h4-7,13-14,17H,8-12H2,1-3H3
InChIKeyGBHKGERPUNEXHI-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

N-[[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550847
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316199
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 55175672
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-amine
CID 97107115
1-[1-(6-methoxynaphthalen-2-yl)ethyl]piperidin-4-amine
CID 43130766
4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 55170195
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 104653772
4-ethyl-1-[1-(4-methoxyphenyl)ethyl]-1,5-diazocane
CID 66244502

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine (CID 63251056) is 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(C(C)c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is GBHKGERPUNEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(15-4-6-16(19-3)7-5-15)18-10-8-14(9-11-18)12-17-2/h4-7,13-14,17H,8-12H2,1-3H3.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine 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-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63251056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).