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

C18H37N3 — CID 170616884

IUPAC2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(CC2CCN(C(C)C)CC2)C(CC)C1
InChIInChI=1S/C18H37N3/c1-5-9-19-12-13-21(18(6-2)15-19)14-17-7-10-20(11-8-17)16(3)4/h16-18H,5-15H2,1-4H3
InChIKeyYTURTKPTNMITCT-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.91
Rot. Bonds6

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

2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine (PubChem CID 170616884) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine.

Molecular Properties

Compound Name2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
PubChem CID170616884
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine
SMILESCCCN1CCN(CC2CCN(C(C)C)CC2)C(CC)C1
InChIInChI=1S/C18H37N3/c1-5-9-19-12-13-21(18(6-2)15-19)14-17-7-10-20(11-8-17)16(3)4/h16-18H,5-15H2,1-4H3
InChIKeyYTURTKPTNMITCT-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
CID 166466780
3-propan-2-yl-6-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,6-diazabicyclo[3.2.1]octane
CID 167417926
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-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 177355504
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
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
1-[4-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 95343221
4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 174291983

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine?
The IUPAC name of 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine (CID 170616884) is 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine.
What is the SMILES notation for 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine?
The canonical SMILES for 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine is 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?
The InChIKey is YTURTKPTNMITCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-5-9-19-12-13-21(18(6-2)15-19)14-17-7-10-20(11-8-17)16(3)4/h16-18H,5-15H2,1-4H3.
What are the key properties of 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine?
2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine has a molecular weight of 295.51 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-propylpiperazine is sourced from PubChem (CID 170616884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).