1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine

C18H35N3 — CID 177134839

IUPAC1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
SMILESCCC1CCC(N2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-2-16-3-5-18(6-4-16)21-13-11-20(12-14-21)15-17-7-9-19-10-8-17/h16-19H,2-15H2,1H3
InChIKeyDPFPHABXLFGRMT-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine

1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine (PubChem CID 177134839) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
PubChem CID177134839
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
SMILESCCC1CCC(N2CCN(CC3CCNCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-2-16-3-5-18(6-4-16)21-13-11-20(12-14-21)15-17-7-9-19-10-8-17/h16-19H,2-15H2,1H3
InChIKeyDPFPHABXLFGRMT-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
CID 177134711
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
1-(1-ethylpiperidin-4-yl)-4-(pyrrolidin-3-ylmethyl)piperazine
CID 170063851
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
ethane;1-ethyl-4-(oxetan-3-yl)piperazine;4-ethylpiperidine;propane
CID 178029460
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 71196303
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1-cyclopropyl-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663613

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine (CID 177134839) is 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine is CCC1CCC(N2CCN(CC3CCNCC3)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine?
The InChIKey is DPFPHABXLFGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-16-3-5-18(6-4-16)21-13-11-20(12-14-21)15-17-7-9-19-10-8-17/h16-19H,2-15H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine?
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine has a molecular weight of 293.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine is sourced from PubChem (CID 177134839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).