2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol

C16H30N2O — CID 28733174

IUPAC2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CC2CC2)CCN1C1CCCCC1
InChIInChI=1S/C16H30N2O/c19-11-8-16-13-17(12-14-6-7-14)9-10-18(16)15-4-2-1-3-5-15/h14-16,19H,1-13H2/t16-/m0/s1
InChIKeyDSDPNHQTGPIWMX-INIZCTEOSA-N
MW266.43 g/mol
LogP2.10
Rot. Bonds5

About 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol

2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol (PubChem CID 28733174) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
PubChem CID28733174
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(CC2CC2)CCN1C1CCCCC1
InChIInChI=1S/C16H30N2O/c19-11-8-16-13-17(12-14-6-7-14)9-10-18(16)15-4-2-1-3-5-15/h14-16,19H,1-13H2/t16-/m0/s1
InChIKeyDSDPNHQTGPIWMX-INIZCTEOSA-N
XLogP2.10
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-cyclopentyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol
CID 51633511
2-[(2S)-4-cyclobutyl-1-cyclopentylpiperazin-2-yl]ethanol
CID 28849794
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-4-yl)ethanol
CID 75576493
2-[4-(cyclohexylmethyl)-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45242147
2-[(2S)-1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 28734796
2-[1-cyclohexyl-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 45183462
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
2-[(2S)-1-cyclohexyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 29212786
2-[1-cyclohexyl-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45187220
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456
2-[(2R)-1-cyclohexyl-4-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]ethanol
CID 29086670
4-chloro-2-[[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45204573

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol (CID 28733174) is 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol is OCC[C@H]1CN(CC2CC2)CCN1C1CCCCC1.
What is the InChIKey of 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol?
The InChIKey is DSDPNHQTGPIWMX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H30N2O/c19-11-8-16-13-17(12-14-6-7-14)9-10-18(16)15-4-2-1-3-5-15/h14-16,19H,1-13H2/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol?
2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol has a molecular weight of 266.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-cyclohexyl-4-(cyclopropylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 28733174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).