1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride

C17H30ClNO2 — CID 16876933

IUPAC1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESC#CC1(OCC(O)CN2CCCC(C)C2)CCCCC1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-3-17(9-5-4-6-10-17)20-14-16(19)13-18-11-7-8-15(2)12-18;/h1,15-16,19H,4-14H2,2H3;1H
InChIKeyQHBFWLHFCNCLIX-UHFFFAOYSA-N
MW315.88 g/mol
LogP2.85
Rot. Bonds5

About 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride

1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride (PubChem CID 16876933) has the molecular formula C17H30ClNO2 and a molecular weight of 315.88 g/mol. Its IUPAC name is 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
PubChem CID16876933
Molecular FormulaC17H30ClNO2
Molecular Weight315.88 g/mol
Exact Mass315.20
IUPAC Name1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
SMILESC#CC1(OCC(O)CN2CCCC(C)C2)CCCCC1.Cl
InChIInChI=1S/C17H29NO2.ClH/c1-3-17(9-5-4-6-10-17)20-14-16(19)13-18-11-7-8-15(2)12-18;/h1,15-16,19H,4-14H2,2H3;1H
InChIKeyQHBFWLHFCNCLIX-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.88
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride
CID 16876949
(2S)-1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
CID 42587992
1-(1-ethynylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16876951
1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3039523
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol
CID 30726256
(2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844632
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
1-(3-methylpiperidin-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 110879064
1-(3-methylpiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 16798660
1-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45283743
1-(1-ethynylcyclohexyl)oxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3039522

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride (CID 16876933) is 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride is C#CC1(OCC(O)CN2CCCC(C)C2)CCCCC1.Cl.
What is the InChIKey of 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
The InChIKey is QHBFWLHFCNCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2.ClH/c1-3-17(9-5-4-6-10-17)20-14-16(19)13-18-11-7-8-15(2)12-18;/h1,15-16,19H,4-14H2,2H3;1H.
What are the key properties of 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride?
1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride has a molecular weight of 315.88 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 16876933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).