1-[(4-propoxycyclohexyl)methyl]piperazine

C14H28N2O — CID 170953587

IUPAC1-[(4-propoxycyclohexyl)methyl]piperazine
SMILESCCCOC1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C14H28N2O/c1-2-11-17-14-5-3-13(4-6-14)12-16-9-7-15-8-10-16/h13-15H,2-12H2,1H3
InChIKeyZEHXCVUHLGBOBW-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 1-[(4-propoxycyclohexyl)methyl]piperazine

1-[(4-propoxycyclohexyl)methyl]piperazine (PubChem CID 170953587) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(4-propoxycyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-propoxycyclohexyl)methyl]piperazine
PubChem CID170953587
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[(4-propoxycyclohexyl)methyl]piperazine
SMILESCCCOC1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C14H28N2O/c1-2-11-17-14-5-3-13(4-6-14)12-16-9-7-15-8-10-16/h13-15H,2-12H2,1H3
InChIKeyZEHXCVUHLGBOBW-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxyethanol;hydrochloride
CID 120851709
4-[(3-propoxypiperidin-1-yl)methyl]cyclohexan-1-amine
CID 54990160
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-(2-piperidin-4-yloxyethyl)-4-propylpiperidine
CID 63902666
ethane;4-propoxy-1-propylpiperidine
CID 156867917
1-methyl-4-[(4-propoxycyclohexyl)oxymethyl]cyclohexane
CID 137428589
1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
CID 64744385
[4-[(4-ethoxypiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 79527221
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propoxycyclohexyl)methyl]piperazine?
The IUPAC name of 1-[(4-propoxycyclohexyl)methyl]piperazine (CID 170953587) is 1-[(4-propoxycyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-propoxycyclohexyl)methyl]piperazine?
The canonical SMILES for 1-[(4-propoxycyclohexyl)methyl]piperazine is CCCOC1CCC(CN2CCNCC2)CC1.
What is the InChIKey of 1-[(4-propoxycyclohexyl)methyl]piperazine?
The InChIKey is ZEHXCVUHLGBOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-11-17-14-5-3-13(4-6-14)12-16-9-7-15-8-10-16/h13-15H,2-12H2,1H3.
What are the key properties of 1-[(4-propoxycyclohexyl)methyl]piperazine?
1-[(4-propoxycyclohexyl)methyl]piperazine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propoxycyclohexyl)methyl]piperazine is sourced from PubChem (CID 170953587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).