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

C14H22ClNO — CID 11957669

IUPAC3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride
SMILESCCCN1CCC[C@@H](c2cccc(O)c2)C1.Cl
InChIInChI=1S/C14H21NO.ClH/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;1H/t13-;/m1./s1
InChIKeyNRHUDETYKUBQJT-BTQNPOSSSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds3

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

3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride (PubChem CID 11957669) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride
PubChem CID11957669
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride
SMILESCCCN1CCC[C@@H](c2cccc(O)c2)C1.Cl
InChIInChI=1S/C14H21NO.ClH/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;1H/t13-;/m1./s1
InChIKeyNRHUDETYKUBQJT-BTQNPOSSSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
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]phenol;hydrochloride?
The IUPAC name of 3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride (CID 11957669) is 3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride?
The canonical SMILES for 3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride is CCCN1CCC[C@@H](c2cccc(O)c2)C1.Cl.
What is the InChIKey of 3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride?
The InChIKey is NRHUDETYKUBQJT-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H21NO.ClH/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;1H/t13-;/m1./s1.
What are the key properties of 3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride?
3-[(3S)-1-propylpiperidin-3-yl]phenol;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.40, 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;hydrochloride is sourced from PubChem (CID 11957669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).