1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol

C16H26N2O2 — CID 114679002

IUPAC1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol
SMILESCNC(C)c1c(OC)cccc1N1CCC(O)C(C)C1
InChIInChI=1S/C16H26N2O2/c1-11-10-18(9-8-14(11)19)13-6-5-7-15(20-4)16(13)12(2)17-3/h5-7,11-12,14,17,19H,8-10H2,1-4H3
InChIKeyZGYBHLPUMKNGMT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds4

About 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol

1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol (PubChem CID 114679002) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol
PubChem CID114679002
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol
SMILESCNC(C)c1c(OC)cccc1N1CCC(O)C(C)C1
InChIInChI=1S/C16H26N2O2/c1-11-10-18(9-8-14(11)19)13-6-5-7-15(20-4)16(13)12(2)17-3/h5-7,11-12,14,17,19H,8-10H2,1-4H3
InChIKeyZGYBHLPUMKNGMT-UHFFFAOYSA-N
XLogP2.18
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methoxy-6-(3-methoxy-4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 102958964
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647
1-(2-cyclopentyloxy-6-methoxyphenyl)-N-methylethanamine
CID 113389061
1-(2-amino-3-pyridinyl)-3-methylpiperidin-4-ol
CID 114677796
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol (CID 114679002) is 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol is CNC(C)c1c(OC)cccc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol?
The InChIKey is ZGYBHLPUMKNGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-10-18(9-8-14(11)19)13-6-5-7-15(20-4)16(13)12(2)17-3/h5-7,11-12,14,17,19H,8-10H2,1-4H3.
What are the key properties of 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol?
1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol has a molecular weight of 278.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).