1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine

C14H28N3+ — CID 70858397

IUPAC1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine
SMILESC[N+]1(C)CCC(N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C14H28N3/c1-17(2)11-5-14(6-12-17)16-9-7-15(8-10-16)13-3-4-13/h13-14H,3-12H2,1-2H3/q+1
InChIKeyGNAPCXBVICREFK-UHFFFAOYSA-N
MW238.40 g/mol
LogP1.01
Rot. Bonds2

About 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine

1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine (PubChem CID 70858397) has the molecular formula C14H28N3+ and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine
PubChem CID70858397
Molecular FormulaC14H28N3+
Molecular Weight238.40 g/mol
Exact Mass238.23
IUPAC Name1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine
SMILESC[N+]1(C)CCC(N2CCN(C3CC3)CC2)CC1
InChIInChI=1S/C14H28N3/c1-17(2)11-5-14(6-12-17)16-9-7-15(8-10-16)13-3-4-13/h13-14H,3-12H2,1-2H3/q+1
InChIKeyGNAPCXBVICREFK-UHFFFAOYSA-N
XLogP1.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-4-(1-methyl-1-oxidopiperidin-1-ium-4-yl)piperazin-1-ium
CID 163794406
1-cyclopropyl-4-(1-iodopiperidin-4-yl)piperazine
CID 130391537
1,1-dimethyl-4-(oxetan-3-yl)piperazin-1-ium
CID 123791277
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-methylsulfanylpiperazine
CID 118352415
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
1-cyclopropylpiperidine
CID 10909573
1-(4-ethylcyclohexyl)-4-iodopiperazine
CID 166536965
1-(4-iodocyclohexyl)-4-methylpiperazine
CID 134444835
1-cyclopropyl-4-(3-methylbutan-2-yl)piperazine
CID 138669145
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
4-cyclopropylmorpholine;ethane
CID 155594914

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine (CID 70858397) is 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine is C[N+]1(C)CCC(N2CCN(C3CC3)CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine?
The InChIKey is GNAPCXBVICREFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N3/c1-17(2)11-5-14(6-12-17)16-9-7-15(8-10-16)13-3-4-13/h13-14H,3-12H2,1-2H3/q+1.
What are the key properties of 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine?
1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine has a molecular weight of 238.40 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1,1-dimethylpiperidin-1-ium-4-yl)piperazine is sourced from PubChem (CID 70858397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).