1-pentan-3-yl-4-pyridin-4-ylpiperazine

C14H23N3 — CID 20735179

IUPAC1-pentan-3-yl-4-pyridin-4-ylpiperazine
SMILESCCC(CC)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-3-13(4-2)16-9-11-17(12-10-16)14-5-7-15-8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyUQALVBPSAWYXSV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.39
Rot. Bonds4

About 1-pentan-3-yl-4-pyridin-4-ylpiperazine

1-pentan-3-yl-4-pyridin-4-ylpiperazine (PubChem CID 20735179) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-pentan-3-yl-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-pentan-3-yl-4-pyridin-4-ylpiperazine
PubChem CID20735179
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-pentan-3-yl-4-pyridin-4-ylpiperazine
SMILESCCC(CC)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C14H23N3/c1-3-13(4-2)16-9-11-17(12-10-16)14-5-7-15-8-6-14/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyUQALVBPSAWYXSV-UHFFFAOYSA-N
XLogP2.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pyridin-4-ylpiperidin-4-yl)propan-1-ol
CID 18918443
1-ethyl-4-pyridin-4-yl-1,4-diazepane
CID 121451794
4-pyrrolidin-1-ylpyridine
CID 158456628
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101
N-butan-2-yl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384683
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456
3-ethyl-5-(4-pyridin-4-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133358660
3-(4-pentan-3-ylpiperazin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyridazine
CID 70961370
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
(E,2S)-5,5-dimethyl-2-(4-pyridin-4-ylpiperazin-1-yl)hex-3-enoic acid
CID 97199968

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-pentan-3-yl-4-pyridin-4-ylpiperazine (CID 20735179) is 1-pentan-3-yl-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-pentan-3-yl-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-pentan-3-yl-4-pyridin-4-ylpiperazine is CCC(CC)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-pentan-3-yl-4-pyridin-4-ylpiperazine?
The InChIKey is UQALVBPSAWYXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-13(4-2)16-9-11-17(12-10-16)14-5-7-15-8-6-14/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 1-pentan-3-yl-4-pyridin-4-ylpiperazine?
1-pentan-3-yl-4-pyridin-4-ylpiperazine has a molecular weight of 233.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 20735179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).