1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol

C19H29NO3 — CID 111916541

IUPAC1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCC(OCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-15-4-6-16(7-5-15)19(21)13-20-10-8-17(9-11-20)23-14-18-3-2-12-22-18/h4-7,17-19,21H,2-3,8-14H2,1H3
InChIKeyANLNQUOJQWOHPK-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.69
Rot. Bonds6

About 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol

1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol (PubChem CID 111916541) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
PubChem CID111916541
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCC(OCC3CCCO3)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-15-4-6-16(7-5-15)19(21)13-20-10-8-17(9-11-20)23-14-18-3-2-12-22-18/h4-7,17-19,21H,2-3,8-14H2,1H3
InChIKeyANLNQUOJQWOHPK-UHFFFAOYSA-N
XLogP2.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
CID 71859833
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(1S)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-1-phenylethanol
CID 94767855
2-(4-methylphenyl)-5-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 127418614
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-(4-methylphenyl)ethanol
CID 111487555
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
1-(2-bromoprop-2-enyl)-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 96979784
N-ethyl-N'-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447139
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol (CID 111916541) is 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol is Cc1ccc(C(O)CN2CCC(OCC3CCCO3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol?
The InChIKey is ANLNQUOJQWOHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15-4-6-16(7-5-15)19(21)13-20-10-8-17(9-11-20)23-14-18-3-2-12-22-18/h4-7,17-19,21H,2-3,8-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol?
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol has a molecular weight of 319.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol is sourced from PubChem (CID 111916541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).