1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol

C17H27NO2 — CID 111113750

IUPAC1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(C)Oc1ccccc1CN1CCC(C(C)O)CC1
InChIInChI=1S/C17H27NO2/c1-13(2)20-17-7-5-4-6-16(17)12-18-10-8-15(9-11-18)14(3)19/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeySFXWYIGAYRVCPW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.07
Rot. Bonds5

About 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol

1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol (PubChem CID 111113750) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
PubChem CID111113750
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
SMILESCC(C)Oc1ccccc1CN1CCC(C(C)O)CC1
InChIInChI=1S/C17H27NO2/c1-13(2)20-17-7-5-4-6-16(17)12-18-10-8-15(9-11-18)14(3)19/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeySFXWYIGAYRVCPW-UHFFFAOYSA-N
XLogP3.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
1-[1-[[2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110022688
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
CID 55916474
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 111113737
(3R)-3-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]thiolane 1,1-dioxide
CID 97085497
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 111103045
1-butylsulfonyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 110360184
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol (CID 111113750) is 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol is CC(C)Oc1ccccc1CN1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol?
The InChIKey is SFXWYIGAYRVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)20-17-7-5-4-6-16(17)12-18-10-8-15(9-11-18)14(3)19/h4-7,13-15,19H,8-12H2,1-3H3.
What are the key properties of 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol?
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111113750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).