[3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol

C15H23NO — CID 10263410

IUPAC[3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol
SMILESCCCN1CCC[C@@H](c2cccc(CO)c2)C1
InChIInChI=1S/C15H23NO/c1-2-8-16-9-4-7-15(11-16)14-6-3-5-13(10-14)12-17/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3/t15-/m1/s1
InChIKeyBOTMSPLRFWVABA-OAHLLOKOSA-N
MW233.36 g/mol
LogP2.77
Rot. Bonds4

About [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol

[3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol (PubChem CID 10263410) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol
PubChem CID10263410
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol
SMILESCCCN1CCC[C@@H](c2cccc(CO)c2)C1
InChIInChI=1S/C15H23NO/c1-2-8-16-9-4-7-15(11-16)14-6-3-5-13(10-14)12-17/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3/t15-/m1/s1
InChIKeyBOTMSPLRFWVABA-OAHLLOKOSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol?
The IUPAC name of [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol (CID 10263410) is [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol?
The canonical SMILES for [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol is CCCN1CCC[C@@H](c2cccc(CO)c2)C1.
What is the InChIKey of [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol?
The InChIKey is BOTMSPLRFWVABA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-8-16-9-4-7-15(11-16)14-6-3-5-13(10-14)12-17/h3,5-6,10,15,17H,2,4,7-9,11-12H2,1H3/t15-/m1/s1.
What are the key properties of [3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol?
[3-[(3S)-1-propylpiperidin-3-yl]phenyl]methanol has a molecular weight of 233.36 g/mol, XLogP of 2.77, 4 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]phenyl]methanol is sourced from PubChem (CID 10263410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).