3-[(3S)-1-propylpiperidin-3-yl]phenol

C14H21NO — CID 5311189

IUPAC3-[(3S)-1-propylpiperidin-3-yl]phenol
SMILESCCCN1CCC[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyHTSNFXAICLXZMA-CYBMUJFWSA-N
MW219.33 g/mol
LogP2.98
Rot. Bonds3

About 3-[(3S)-1-propylpiperidin-3-yl]phenol

3-[(3S)-1-propylpiperidin-3-yl]phenol (PubChem CID 5311189) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(3S)-1-propylpiperidin-3-yl]phenol.

Molecular Properties

Compound Name3-[(3S)-1-propylpiperidin-3-yl]phenol
PubChem CID5311189
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-[(3S)-1-propylpiperidin-3-yl]phenol
SMILESCCCN1CCC[C@@H](c2cccc(O)c2)C1
InChIInChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyHTSNFXAICLXZMA-CYBMUJFWSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Tolterodine
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Hordenine
CID 68313
Tapentadol Hydrochloride
CID 9838021
Desmetramadol
CID 9838803
7-hydroxy-2-(di-N-propylamino)tetralin
CID 1219
Meptazinol Hydrochloride
CID 65483
Profadol
CID 9882
3-(1-(1-Piperidinyl)cyclohexyl)phenol
CID 133277
Phenol, 3-(2-((2-phenylethyl)propylamino)ethyl)-, hydrochloride (1:1)
CID 114875

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-propylpiperidin-3-yl]phenol?
The IUPAC name of 3-[(3S)-1-propylpiperidin-3-yl]phenol (CID 5311189) is 3-[(3S)-1-propylpiperidin-3-yl]phenol.
What is the SMILES notation for 3-[(3S)-1-propylpiperidin-3-yl]phenol?
The canonical SMILES for 3-[(3S)-1-propylpiperidin-3-yl]phenol is CCCN1CCC[C@@H](c2cccc(O)c2)C1.
What is the InChIKey of 3-[(3S)-1-propylpiperidin-3-yl]phenol?
The InChIKey is HTSNFXAICLXZMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 3-[(3S)-1-propylpiperidin-3-yl]phenol?
3-[(3S)-1-propylpiperidin-3-yl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-propylpiperidin-3-yl]phenol is sourced from PubChem (CID 5311189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).