(1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol

C17H27NO2 — CID 58870110

IUPAC(1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol
SMILESCc1cccc(C[C@H](O)C2CCNCC2)c1OC(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)20-17-13(3)5-4-6-15(17)11-16(19)14-7-9-18-10-8-14/h4-6,12,14,16,18-19H,7-11H2,1-3H3/t16-/m0/s1
InChIKeyUXTRSEZMEXKCQO-INIZCTEOSA-N
MW277.41 g/mol
LogP2.69
Rot. Bonds5

About (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol

(1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol (PubChem CID 58870110) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name(1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol
PubChem CID58870110
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol
SMILESCc1cccc(C[C@H](O)C2CCNCC2)c1OC(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)20-17-13(3)5-4-6-15(17)11-16(19)14-7-9-18-10-8-14/h4-6,12,14,16,18-19H,7-11H2,1-3H3/t16-/m0/s1
InChIKeyUXTRSEZMEXKCQO-INIZCTEOSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol?
The IUPAC name of (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol (CID 58870110) is (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol is Cc1cccc(C[C@H](O)C2CCNCC2)c1OC(C)C.
What is the InChIKey of (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol?
The InChIKey is UXTRSEZMEXKCQO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)20-17-13(3)5-4-6-15(17)11-16(19)14-7-9-18-10-8-14/h4-6,12,14,16,18-19H,7-11H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol?
(1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol has a molecular weight of 277.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-methyl-2-propan-2-yloxyphenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 58870110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).