1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine

C23H44N4O — CID 171641363

IUPAC1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
SMILESCCN1CCC(CN2CCN(CC3CCC(OC4CCNCC4)CC3)CC2)C1
InChIInChI=1S/C23H44N4O/c1-2-25-12-9-21(18-25)19-27-15-13-26(14-16-27)17-20-3-5-22(6-4-20)28-23-7-10-24-11-8-23/h20-24H,2-19H2,1H3
InChIKeyLEKZYGPHNBZPDU-UHFFFAOYSA-N
MW392.63 g/mol
LogP2.27
Rot. Bonds7

About 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine

1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine (PubChem CID 171641363) has the molecular formula C23H44N4O and a molecular weight of 392.63 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
PubChem CID171641363
Molecular FormulaC23H44N4O
Molecular Weight392.63 g/mol
Exact Mass392.35
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
SMILESCCN1CCC(CN2CCN(CC3CCC(OC4CCNCC4)CC3)CC2)C1
InChIInChI=1S/C23H44N4O/c1-2-25-12-9-21(18-25)19-27-15-13-26(14-16-27)17-20-3-5-22(6-4-20)28-23-7-10-24-11-8-23/h20-24H,2-19H2,1H3
InChIKeyLEKZYGPHNBZPDU-UHFFFAOYSA-N
XLogP2.27
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.63
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine with MolForge

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Related Compounds

[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone
CID 171641865
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine
CID 171641813
1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 171641415
4-cyclohexyloxy-1-(piperidin-4-ylmethyl)piperidine
CID 119931133
6-ethyl-2-[(4-piperidin-4-yloxycyclohexyl)methyl]-2,6-diazaspiro[3.3]heptane;prop-1-ene
CID 171641851
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
N-methyl-1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanamine
CID 156720132
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
1-[(1-ethylpyrrolidin-3-yl)methyl]piperidin-4-one
CID 60857529
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine (CID 171641363) is 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine is CCN1CCC(CN2CCN(CC3CCC(OC4CCNCC4)CC3)CC2)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
The InChIKey is LEKZYGPHNBZPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O/c1-2-25-12-9-21(18-25)19-27-15-13-26(14-16-27)17-20-3-5-22(6-4-20)28-23-7-10-24-11-8-23/h20-24H,2-19H2,1H3.
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine?
1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine has a molecular weight of 392.63 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine is sourced from PubChem (CID 171641363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).