3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride

C24H35ClN2O — CID 90656697

IUPAC3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride
SMILESCN(CCCCCCN1CCC(c2ccccc2)CC1)c1cccc(O)c1.Cl
InChIInChI=1S/C24H34N2O.ClH/c1-25(23-12-9-13-24(27)20-23)16-7-2-3-8-17-26-18-14-22(15-19-26)21-10-5-4-6-11-21;/h4-6,9-13,20,22,27H,2-3,7-8,14-19H2,1H3;1H
InChIKeyNEKFBDFCNJFLIS-UHFFFAOYSA-N
MW403.01 g/mol
LogP5.69
Rot. Bonds9

About 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride

3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride (PubChem CID 90656697) has the molecular formula C24H35ClN2O and a molecular weight of 403.01 g/mol. Its IUPAC name is 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride
PubChem CID90656697
Molecular FormulaC24H35ClN2O
Molecular Weight403.01 g/mol
Exact Mass402.24
IUPAC Name3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride
SMILESCN(CCCCCCN1CCC(c2ccccc2)CC1)c1cccc(O)c1.Cl
InChIInChI=1S/C24H34N2O.ClH/c1-25(23-12-9-13-24(27)20-23)16-7-2-3-8-17-26-18-14-22(15-19-26)21-10-5-4-6-11-21;/h4-6,9-13,20,22,27H,2-3,7-8,14-19H2,1H3;1H
InChIKeyNEKFBDFCNJFLIS-UHFFFAOYSA-N
XLogP5.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.01
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
1-(3-Hydroxyphenyl)-4-propylpiperazine
CID 22397846
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
3-(1,3-dihydro-2H-isoindol-2-yl)phenol
CID 687968
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
1-Isopropyl-2-phenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
CID 18172444
3-(4-Hydroxy-phenyl)-1-propyl-1,2,3,4-tetrahydro-quinolin-7-ol
CID 23653178
1-Cyclopropylmethyl-3-(4-hydroxy-phenyl)-1,2,3,4-tetrahydro-quinolin-7-ol
CID 23653179
3-(4-Hydroxy-phenyl)-1-methyl-1,2,3,4-tetrahydro-quinolin-7-ol
CID 25027907
1-Ethyl-3-(4-hydroxy-phenyl)-1,2,3,4-tetrahydro-quinolin-7-ol
CID 25027908
3-[(2R)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850463
3-[(2S,5R)-2,5-dimethyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 53355391

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride?
The IUPAC name of 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride (CID 90656697) is 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride.
What is the SMILES notation for 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride?
The canonical SMILES for 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride is CN(CCCCCCN1CCC(c2ccccc2)CC1)c1cccc(O)c1.Cl.
What is the InChIKey of 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride?
The InChIKey is NEKFBDFCNJFLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O.ClH/c1-25(23-12-9-13-24(27)20-23)16-7-2-3-8-17-26-18-14-22(15-19-26)21-10-5-4-6-11-21;/h4-6,9-13,20,22,27H,2-3,7-8,14-19H2,1H3;1H.
What are the key properties of 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride?
3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride has a molecular weight of 403.01 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-(4-phenylpiperidin-1-yl)hexyl]amino]phenol;hydrochloride is sourced from PubChem (CID 90656697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).