[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol

C16H25NO2 — CID 54794443

IUPAC[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCCCOc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C16H25NO2/c1-2-10-19-16-5-3-4-15(11-16)12-17-8-6-14(13-18)7-9-17/h3-5,11,14,18H,2,6-10,12-13H2,1H3
InChIKeyJPLHHBLAMVEVOB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.68
Rot. Bonds6

About [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol

[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol (PubChem CID 54794443) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
PubChem CID54794443
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
SMILESCCCOc1cccc(CN2CCC(CO)CC2)c1
InChIInChI=1S/C16H25NO2/c1-2-10-19-16-5-3-4-15(11-16)12-17-8-6-14(13-18)7-9-17/h3-5,11,14,18H,2,6-10,12-13H2,1H3
InChIKeyJPLHHBLAMVEVOB-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(3-ethylphenoxy)butyl]piperidin-4-yl]methanol
CID 142203164
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043103
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
N-[[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]methyl]propane-2-sulfonamide
CID 25037634
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
1-[4-(hydroxymethyl)piperidin-1-yl]-3-[3-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 175643135
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
1-(1-benzofuran-2-ylmethyl)-4-[(3-propoxyphenyl)methyl]piperazine
CID 46914775

Frequently Asked Questions

What is the IUPAC name of [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol (CID 54794443) is [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol is CCCOc1cccc(CN2CCC(CO)CC2)c1.
What is the InChIKey of [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol?
The InChIKey is JPLHHBLAMVEVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-10-19-16-5-3-4-15(11-16)12-17-8-6-14(13-18)7-9-17/h3-5,11,14,18H,2,6-10,12-13H2,1H3.
What are the key properties of [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol?
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 54794443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).