1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol

C16H25NO3 — CID 115996046

IUPAC1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(OCCO)CC1
InChIInChI=1S/C16H25NO3/c1-2-16(19)14-5-3-4-6-15(14)17-9-7-13(8-10-17)20-12-11-18/h3-6,13,16,18-19H,2,7-12H2,1H3
InChIKeyYKCMIGMLPZXXPK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.11
Rot. Bonds6

About 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol

1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol (PubChem CID 115996046) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
PubChem CID115996046
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(OCCO)CC1
InChIInChI=1S/C16H25NO3/c1-2-16(19)14-5-3-4-6-15(14)17-9-7-13(8-10-17)20-12-11-18/h3-6,13,16,18-19H,2,7-12H2,1H3
InChIKeyYKCMIGMLPZXXPK-UHFFFAOYSA-N
XLogP2.11
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
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
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
(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
(1R)-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]propan-1-ol
CID 103960202
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
CID 115995958

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol (CID 115996046) is 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol is CCC(O)c1ccccc1N1CCC(OCCO)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol?
The InChIKey is YKCMIGMLPZXXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-2-16(19)14-5-3-4-6-15(14)17-9-7-13(8-10-17)20-12-11-18/h3-6,13,16,18-19H,2,7-12H2,1H3.
What are the key properties of 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol?
1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 115996046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).