2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol

C17H27NO3 — CID 103857720

IUPAC2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
SMILESCOCC1CCCN(C(C)C(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO3/c1-13(18-10-4-5-14(11-18)12-20-2)17(19)15-6-8-16(21-3)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeySOTZXNSUYDPENO-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.48
Rot. Bonds6

About 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol

2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol (PubChem CID 103857720) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
PubChem CID103857720
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
SMILESCOCC1CCCN(C(C)C(O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H27NO3/c1-13(18-10-4-5-14(11-18)12-20-2)17(19)15-6-8-16(21-3)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3
InChIKeySOTZXNSUYDPENO-UHFFFAOYSA-N
XLogP2.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
CID 106586627
1-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-2-amine
CID 106585949
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347768
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
(1R)-1-[4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanol
CID 106587670
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
[(3R)-1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-3-yl]methanol
CID 30982517

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol (CID 103857720) is 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol is COCC1CCCN(C(C)C(O)c2ccc(OC)cc2)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol?
The InChIKey is SOTZXNSUYDPENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18-10-4-5-14(11-18)12-20-2)17(19)15-6-8-16(21-3)9-7-15/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol?
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol has a molecular weight of 293.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 103857720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).