4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride

C22H38ClNO2 — CID 142627369

IUPAC4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride
SMILESCCC(CCC1(O)CCC(Cc2ccccc2)CC1CN(C)C)OC.Cl
InChIInChI=1S/C22H37NO2.ClH/c1-5-21(25-4)12-14-22(24)13-11-19(16-20(22)17-23(2)3)15-18-9-7-6-8-10-18;/h6-10,19-21,24H,5,11-17H2,1-4H3;1H
InChIKeyPSKNWMICGCWTDY-UHFFFAOYSA-N
MW384.00 g/mol
LogP4.57
Rot. Bonds9

About 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride

4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride (PubChem CID 142627369) has the molecular formula C22H38ClNO2 and a molecular weight of 384.00 g/mol. Its IUPAC name is 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride
PubChem CID142627369
Molecular FormulaC22H38ClNO2
Molecular Weight384.00 g/mol
Exact Mass383.26
IUPAC Name4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride
SMILESCCC(CCC1(O)CCC(Cc2ccccc2)CC1CN(C)C)OC.Cl
InChIInChI=1S/C22H37NO2.ClH/c1-5-21(25-4)12-14-22(24)13-11-19(16-20(22)17-23(2)3)15-18-9-7-6-8-10-18;/h6-10,19-21,24H,5,11-17H2,1-4H3;1H
InChIKeyPSKNWMICGCWTDY-UHFFFAOYSA-N
XLogP4.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.00
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride (CID 142627369) is 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride is CCC(CCC1(O)CCC(Cc2ccccc2)CC1CN(C)C)OC.Cl.
What is the InChIKey of 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is PSKNWMICGCWTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2.ClH/c1-5-21(25-4)12-14-22(24)13-11-19(16-20(22)17-23(2)3)15-18-9-7-6-8-10-18;/h6-10,19-21,24H,5,11-17H2,1-4H3;1H.
What are the key properties of 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride?
4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 384.00 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(dimethylamino)methyl]-1-(3-methoxypentyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 142627369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).