5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol

C19H32NO+ — CID 10620

💊View drug profile → mepiperphenidol
IUPAC5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol
SMILESCC(C)C(c1ccccc1)C(O)CC[N+]1(C)CCCCC1
InChIInChI=1S/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1
InChIKeySMOSFFGOYXWICC-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.81
Rot. Bonds6

About 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol

5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol (PubChem CID 10620) has the molecular formula C19H32NO+ and a molecular weight of 290.47 g/mol. Its IUPAC name is 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol.

Molecular Properties

Compound Name5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol
PubChem CID10620
Molecular FormulaC19H32NO+
Molecular Weight290.47 g/mol
Exact Mass290.25
IUPAC Name5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol
SMILESCC(C)C(c1ccccc1)C(O)CC[N+]1(C)CCCCC1
InChIInChI=1S/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1
InChIKeySMOSFFGOYXWICC-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Trihexyphenidyl
CID 5572
Trihexyphenidyl Hydrochloride
CID 66007
Glemanserin
CID 71781
Cycrimine
CID 2911
Alphamethadol
CID 62709
Tridihexethyl
CID 20299
Tridihexethyl Chloride
CID 20298
3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-
CID 28397
Vesamicol
CID 5662
Cycrimine Hydrochloride
CID 101597
Vesamicol hydrochloride
CID 212231
(-)-Vesamicol
CID 659840

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol?
The IUPAC name of 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol (CID 10620) is 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol.
What is the SMILES notation for 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol?
The canonical SMILES for 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol is CC(C)C(c1ccccc1)C(O)CC[N+]1(C)CCCCC1.
What is the InChIKey of 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol?
The InChIKey is SMOSFFGOYXWICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO/c1-16(2)19(17-10-6-4-7-11-17)18(21)12-15-20(3)13-8-5-9-14-20/h4,6-7,10-11,16,18-19,21H,5,8-9,12-15H2,1-3H3/q+1.
What are the key properties of 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol?
5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol has a molecular weight of 290.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol is sourced from PubChem (CID 10620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).