1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C19H38ClNO2 — CID 2882591

IUPAC1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CCC(C(C)(C)C)CC2)CC1.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-15-9-11-20(12-10-15)13-17(21)14-22-18-7-5-16(6-8-18)19(2,3)4;/h15-18,21H,5-14H2,1-4H3;1H
InChIKeyOPHUJENUIAFJPF-UHFFFAOYSA-N
MW347.97 g/mol
LogP4.12
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 2882591) has the molecular formula C19H38ClNO2 and a molecular weight of 347.97 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID2882591
Molecular FormulaC19H38ClNO2
Molecular Weight347.97 g/mol
Exact Mass347.26
IUPAC Name1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESCC1CCN(CC(O)COC2CCC(C(C)(C)C)CC2)CC1.Cl
InChIInChI=1S/C19H37NO2.ClH/c1-15-9-11-20(12-10-15)13-17(21)14-22-18-7-5-16(6-8-18)19(2,3)4;/h15-18,21H,5-14H2,1-4H3;1H
InChIKeyOPHUJENUIAFJPF-UHFFFAOYSA-N
XLogP4.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.97
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(3-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2867132
1-[(4-Tert-butylcyclohexyl)oxy]-3-(2,6-dimethyl-1-piperidinyl)-2-propanol hydrochloride
CID 2882278
CID 16196094
CID 16196094
1-(2-Methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 16241438
1-(3,5-Dimethylpiperidin-1-yl)-3-[(3,3,5-trimethylcyclohexyl)oxy]propan-2-ol
CID 23723107
1-((2-Isopropyl-5-methylcyclohexyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 2769749
1-[2-(1-Adamantyl)ethoxy]-3-(1-piperidinyl)-2-propanol hydrochloride
CID 2769757
1-[2-(1-Adamantyl)ethoxy]-3-(4-methyl-1-piperidinyl)-2-propanol hydrochloride
CID 2834357
1-[(4-Tert-butylcyclohexyl)oxy]-3-(1-pyrrolidinyl)-2-propanol hydrochloride
CID 2882788
1-(4-Morpholinyl)-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol hydrochloride
CID 2892832
1-(4-Methylpiperidin-1-yl)-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol;hydrochloride
CID 2892386
1-[(4-Tert-butylcyclohexyl)oxy]-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 2882279

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 2882591) is 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is CC1CCN(CC(O)COC2CCC(C(C)(C)C)CC2)CC1.Cl.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is OPHUJENUIAFJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2.ClH/c1-15-9-11-20(12-10-15)13-17(21)14-22-18-7-5-16(6-8-18)19(2,3)4;/h15-18,21H,5-14H2,1-4H3;1H.
What are the key properties of 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 347.97 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)oxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 2882591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).