1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium

C19H32N2+2 — CID 4584207

IUPAC1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium
SMILESc1ccc(CCC[NH+]2CC[NH+](C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h1,3-4,8-9,19H,2,5-7,10-17H2/p+2
InChIKeyDKHJWJYQHHRPQR-UHFFFAOYSA-P
MW288.48 g/mol
LogP0.74
Rot. Bonds5

About 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium

1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium (PubChem CID 4584207) has the molecular formula C19H32N2+2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium
PubChem CID4584207
Molecular FormulaC19H32N2+2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium
SMILESc1ccc(CCC[NH+]2CC[NH+](C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H30N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h1,3-4,8-9,19H,2,5-7,10-17H2/p+2
InChIKeyDKHJWJYQHHRPQR-UHFFFAOYSA-P
XLogP0.74
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-4-cyclopentylpiperazine-1,4-diium
CID 7108959
1-[(4-bromophenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium
CID 6988450
1-[(2-chlorophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium
CID 2055176
(3R)-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-ol
CID 7047298
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium
CID 7047233
1-[(3-chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium
CID 6988360
1-cycloheptyl-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium
CID 7120136
2-phenylethylcyclooctane
CID 54073487
1-cyclopentyl-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium
CID 4742397
azepan-1-yl-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]methanone
CID 7344238
1-(4-cycloheptylpiperazin-4-ium-1-yl)-2-phenylethanone
CID 4743044
1-[(3-phenoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium
CID 7344717

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium?
The IUPAC name of 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium (CID 4584207) is 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium.
What is the SMILES notation for 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium?
The canonical SMILES for 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium is c1ccc(CCC[NH+]2CC[NH+](C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium?
The InChIKey is DKHJWJYQHHRPQR-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H30N2/c1-3-8-18(9-4-1)10-7-13-20-14-16-21(17-15-20)19-11-5-2-6-12-19/h1,3-4,8-9,19H,2,5-7,10-17H2/p+2.
What are the key properties of 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium?
1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium has a molecular weight of 288.48 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3-phenylpropyl)piperazine-1,4-diium is sourced from PubChem (CID 4584207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).