2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol

C18H35N3O — CID 3708932

IUPAC2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESCC1CCCC(N2CCC(N3CCN(CCO)CC3)CC2)C1
InChIInChI=1S/C18H35N3O/c1-16-3-2-4-18(15-16)20-7-5-17(6-8-20)21-11-9-19(10-12-21)13-14-22/h16-18,22H,2-15H2,1H3
InChIKeyMYJDDEWXFJRWBN-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.64
Rot. Bonds4

About 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 3708932) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID3708932
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol
SMILESCC1CCCC(N2CCC(N3CCN(CCO)CC3)CC2)C1
InChIInChI=1S/C18H35N3O/c1-16-3-2-4-18(15-16)20-7-5-17(6-8-20)21-11-9-19(10-12-21)13-14-22/h16-18,22H,2-15H2,1H3
InChIKeyMYJDDEWXFJRWBN-UHFFFAOYSA-N
XLogP1.64
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R,3R)-3-methylcyclopentyl]piperazin-1-yl]ethanol
CID 30327158
1-ethyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784147
1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 784145
1-methyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 7047259
2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)piperazin-1-yl]ethanol
CID 165470380
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 62561082
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
1-ethylsulfonyl-4-(3-methylcyclohexyl)piperazine
CID 2900133
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
ethane;7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 142534546
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
CID 26458332
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol (CID 3708932) is 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol is CC1CCCC(N2CCC(N3CCN(CCO)CC3)CC2)C1.
What is the InChIKey of 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is MYJDDEWXFJRWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-16-3-2-4-18(15-16)20-7-5-17(6-8-20)21-11-9-19(10-12-21)13-14-22/h16-18,22H,2-15H2,1H3.
What are the key properties of 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 309.50 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-methylcyclohexyl)piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 3708932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).