2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C34H70N6 — CID 170616883

IUPAC2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.CCCN1CCN(CC2CCN(C(C)C)CC2)C(CC)C1
InChIInChI=1S/C18H37N3.C16H33N3/c1-5-9-19-12-13-21(18(6-2)15-19)14-17-7-10-20(11-8-17)16(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h16-18H,5-15H2,1-4H3;14-16H,5-13H2,1-4H3
InChIKeyOLORQJOUKAZBDB-UHFFFAOYSA-N
MW562.98 g/mol
LogP5.05
Rot. Bonds10

About 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 170616883) has the molecular formula C34H70N6 and a molecular weight of 562.98 g/mol. Its IUPAC name is 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID170616883
Molecular FormulaC34H70N6
Molecular Weight562.98 g/mol
Exact Mass562.57
IUPAC Name2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.CCCN1CCN(CC2CCN(C(C)C)CC2)C(CC)C1
InChIInChI=1S/C18H37N3.C16H33N3/c1-5-9-19-12-13-21(18(6-2)15-19)14-17-7-10-20(11-8-17)16(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h16-18H,5-15H2,1-4H3;14-16H,5-13H2,1-4H3
InChIKeyOLORQJOUKAZBDB-UHFFFAOYSA-N
XLogP5.05
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
CID 170616884
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
CID 166466780
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 170616883) is 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC(C)N1CCC(CN2CCN(C(C)C)CC2)CC1.CCCN1CCN(CC2CCN(C(C)C)CC2)C(CC)C1.
What is the InChIKey of 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is OLORQJOUKAZBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3.C16H33N3/c1-5-9-19-12-13-21(18(6-2)15-19)14-17-7-10-20(11-8-17)16(3)4;1-14(2)18-7-5-16(6-8-18)13-17-9-11-19(12-10-17)15(3)4/h16-18H,5-15H2,1-4H3;14-16H,5-13H2,1-4H3.
What are the key properties of 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 562.98 g/mol, XLogP of 5.05, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 170616883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).