(4-pyridin-3-ylpiperazin-1-yl)phosphane

C9H14N3P — CID 21025744

IUPAC(4-pyridin-3-ylpiperazin-1-yl)phosphane
SMILESPN1CCN(c2cccnc2)CC1
InChIInChI=1S/C9H14N3P/c13-12-6-4-11(5-7-12)9-2-1-3-10-8-9/h1-3,8H,4-7,13H2
InChIKeyFVYDKEZMFAVDFA-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.99
Rot. Bonds1

About (4-pyridin-3-ylpiperazin-1-yl)phosphane

(4-pyridin-3-ylpiperazin-1-yl)phosphane (PubChem CID 21025744) has the molecular formula C9H14N3P and a molecular weight of 195.21 g/mol. Its IUPAC name is (4-pyridin-3-ylpiperazin-1-yl)phosphane.

Molecular Properties

Compound Name(4-pyridin-3-ylpiperazin-1-yl)phosphane
PubChem CID21025744
Molecular FormulaC9H14N3P
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name(4-pyridin-3-ylpiperazin-1-yl)phosphane
SMILESPN1CCN(c2cccnc2)CC1
InChIInChI=1S/C9H14N3P/c13-12-6-4-11(5-7-12)9-2-1-3-10-8-9/h1-3,8H,4-7,13H2
InChIKeyFVYDKEZMFAVDFA-UHFFFAOYSA-N
XLogP0.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-4-pyridin-3-ylpiperazine
CID 144911309
[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]azanium;hydroxide;hydrate
CID 159789123
8-pyridin-3-yl-8-aza-5-azoniaspiro[4.5]decane
CID 24758608
1-ethyl-4-pyridin-3-yl-1,4-diazepane
CID 22478498
(1-pyridin-3-ylpiperidin-4-yl) hypochlorite
CID 174467060
1-pyridin-3-ylpiperidine-4-carbonitrile
CID 71721220
2-chloro-1-(4-pyridin-3-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 167917546
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
1-benzyl-4-pyridin-3-yl-1,4-diazepane
CID 22053417
(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
CID 10058322
1-(2-chloro-4-phenylphenyl)-4-pyridin-3-ylpiperazine
CID 59446270
tert-butyl 4-pyridin-3-ylpiperazine-1-carboxylate
CID 11673373

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-ylpiperazin-1-yl)phosphane?
The IUPAC name of (4-pyridin-3-ylpiperazin-1-yl)phosphane (CID 21025744) is (4-pyridin-3-ylpiperazin-1-yl)phosphane.
What is the SMILES notation for (4-pyridin-3-ylpiperazin-1-yl)phosphane?
The canonical SMILES for (4-pyridin-3-ylpiperazin-1-yl)phosphane is PN1CCN(c2cccnc2)CC1.
What is the InChIKey of (4-pyridin-3-ylpiperazin-1-yl)phosphane?
The InChIKey is FVYDKEZMFAVDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3P/c13-12-6-4-11(5-7-12)9-2-1-3-10-8-9/h1-3,8H,4-7,13H2.
What are the key properties of (4-pyridin-3-ylpiperazin-1-yl)phosphane?
(4-pyridin-3-ylpiperazin-1-yl)phosphane has a molecular weight of 195.21 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-ylpiperazin-1-yl)phosphane is sourced from PubChem (CID 21025744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).