1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine

C16H32N2O — CID 94827999

IUPAC1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C16H32N2O/c1-3-8-17-9-11-18(12-10-17)13-14-19-16-7-5-4-6-15(16)2/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyQNDQEEMTZVADMC-JKSUJKDBSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine

1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine (PubChem CID 94827999) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
PubChem CID94827999
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
SMILESCCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C16H32N2O/c1-3-8-17-9-11-18(12-10-17)13-14-19-16-7-5-4-6-15(16)2/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1
InChIKeyQNDQEEMTZVADMC-JKSUJKDBSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688
(2R)-2-ethyl-1-(2-methoxyethyl)-4-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124840342
(1S)-2-[4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]-1-phenylethanol
CID 100838911
5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 94081831
(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
CID 124840080
3-methyl-7-[2-(2-methylcyclohexyl)oxyethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 56780123
[3-methyl-1-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidin-3-yl]methanamine
CID 120772413
tert-butyl N-methyl-N-[1-[2-(2-methylcyclohexyl)oxyethyl]piperidin-4-yl]carbamate
CID 86898816
4-[4-[2-(2-methylcyclohexyl)oxyethyl]-1,4-diazepan-1-yl]benzonitrile
CID 55703346
1-(3-chloropropoxy)-2-methylcyclohexane
CID 24689088
2-methyl-3-(2-pyrrolidin-1-ylethoxy)piperidine
CID 107912759

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine?
The IUPAC name of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine (CID 94827999) is 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine.
What is the SMILES notation for 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine?
The canonical SMILES for 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine is CCCN1CCN(CCO[C@@H]2CCCC[C@@H]2C)CC1.
What is the InChIKey of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine?
The InChIKey is QNDQEEMTZVADMC-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-8-17-9-11-18(12-10-17)13-14-19-16-7-5-4-6-15(16)2/h15-16H,3-14H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine?
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine is sourced from PubChem (CID 94827999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).