1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol

C16H25NO — CID 112678826

IUPAC1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
SMILESCCC1CCCN(c2ccccc2C(O)CC)C1
InChIInChI=1S/C16H25NO/c1-3-13-8-7-11-17(12-13)15-10-6-5-9-14(15)16(18)4-2/h5-6,9-10,13,16,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyMPDUEPCJFUZOIA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds4

About 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol

1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol (PubChem CID 112678826) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
PubChem CID112678826
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
SMILESCCC1CCCN(c2ccccc2C(O)CC)C1
InChIInChI=1S/C16H25NO/c1-3-13-8-7-11-17(12-13)15-10-6-5-9-14(15)16(18)4-2/h5-6,9-10,13,16,18H,3-4,7-8,11-12H2,1-2H3
InChIKeyMPDUEPCJFUZOIA-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 103960219
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propan-1-ol
CID 103959883
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol
CID 103960120
2-[2-(1-hydroxypropyl)phenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115996043

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol (CID 112678826) is 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol is CCC1CCCN(c2ccccc2C(O)CC)C1.
What is the InChIKey of 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol?
The InChIKey is MPDUEPCJFUZOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-8-7-11-17(12-13)15-10-6-5-9-14(15)16(18)4-2/h5-6,9-10,13,16,18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol?
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 112678826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).