1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride

C17H32Cl2N2O2 — CID 16876949

IUPAC1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride
SMILESC#CC1(OCC(O)CN2CCN(CC)CC2)CCCCC1.Cl.Cl
InChIInChI=1S/C17H30N2O2.2ClH/c1-3-17(8-6-5-7-9-17)21-15-16(20)14-19-12-10-18(4-2)11-13-19;;/h1,16,20H,4-15H2,2H3;2*1H
InChIKeyAWDOARXZNHDASA-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.18
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride

1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride (PubChem CID 16876949) has the molecular formula C17H32Cl2N2O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride
PubChem CID16876949
Molecular FormulaC17H32Cl2N2O2
Molecular Weight367.36 g/mol
Exact Mass366.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride
SMILESC#CC1(OCC(O)CN2CCN(CC)CC2)CCCCC1.Cl.Cl
InChIInChI=1S/C17H30N2O2.2ClH/c1-3-17(8-6-5-7-9-17)21-15-16(20)14-19-12-10-18(4-2)11-13-19;;/h1,16,20H,4-15H2,2H3;2*1H
InChIKeyAWDOARXZNHDASA-UHFFFAOYSA-N
XLogP2.18
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethynylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16876951
1-(1-ethynylcyclohexyl)oxy-3-(3-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16876933
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol
CID 30726256
1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3039523
(2S)-1-(1-ethynylcyclohexyl)oxy-3-(2,2,6,6-tetramethylpiperidin-1-yl)propan-2-ol
CID 42587992
(2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844632
1-(1-ethynylcyclohexyl)oxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol;dihydrochloride
CID 3039522
2-[2-[4-[(2S)-3-(1-ethynylcyclohexyl)oxy-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
CID 30726265
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
(2S)-1-(4-ethylpiperazin-1-yl)-3-(2-methylbutan-2-yloxy)propan-2-ol
CID 30637661
(2R)-1-(azepan-1-yl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropan-2-ol
CID 42589284
1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride (CID 16876949) is 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride is C#CC1(OCC(O)CN2CCN(CC)CC2)CCCCC1.Cl.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride?
The InChIKey is AWDOARXZNHDASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2.2ClH/c1-3-17(8-6-5-7-9-17)21-15-16(20)14-19-12-10-18(4-2)11-13-19;;/h1,16,20H,4-15H2,2H3;2*1H.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride?
1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride has a molecular weight of 367.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol;dihydrochloride is sourced from PubChem (CID 16876949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).