[4-(piperazin-1-ylmethyl)phenyl]phosphane

C11H17N2P — CID 21334669

IUPAC[4-(piperazin-1-ylmethyl)phenyl]phosphane
SMILESPc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H17N2P/c14-11-3-1-10(2-4-11)9-13-7-5-12-6-8-13/h1-4,12H,5-9,14H2
InChIKeyLNMXRBTUUAFZBN-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.59
Rot. Bonds2

About [4-(piperazin-1-ylmethyl)phenyl]phosphane

[4-(piperazin-1-ylmethyl)phenyl]phosphane (PubChem CID 21334669) has the molecular formula C11H17N2P and a molecular weight of 208.25 g/mol. Its IUPAC name is [4-(piperazin-1-ylmethyl)phenyl]phosphane.

Molecular Properties

Compound Name[4-(piperazin-1-ylmethyl)phenyl]phosphane
PubChem CID21334669
Molecular FormulaC11H17N2P
Molecular Weight208.25 g/mol
Exact Mass208.11
IUPAC Name[4-(piperazin-1-ylmethyl)phenyl]phosphane
SMILESPc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C11H17N2P/c14-11-3-1-10(2-4-11)9-13-7-5-12-6-8-13/h1-4,12H,5-9,14H2
InChIKeyLNMXRBTUUAFZBN-UHFFFAOYSA-N
XLogP0.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841
azane;1-benzylpiperazine
CID 174866973
dizinc bis(1-[[4-(1,4,10-triaza-7-azanidacyclododec-1-ylmethyl)phenyl]methyl]-1,4,10-triaza-7-azanidacyclododecane)
CID 57372956
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
1-[(4-chlorophenyl)methyl]-1,4-diazepane
CID 15634377
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperazine
CID 117368978
5-[[4-(1,5,8,13-tetrazabicyclo[11.2.2]heptadecan-5-ylmethyl)phenyl]methyl]-1,5,8,13-tetrazabicyclo[11.2.2]heptadecane
CID 158835050
1,4-bis[(4-tert-butylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 11328765
3-[4-(piperazin-1-ylmethyl)phenyl]propanal
CID 117336777
propane;1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 177343128
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
11-[[4-(1,4,7,11-tetrazacyclotetradec-11-ylmethyl)phenyl]methyl]-1,4,7,11-tetrazacyclotetradecane;octahydrobromide
CID 142646286

Frequently Asked Questions

What is the IUPAC name of [4-(piperazin-1-ylmethyl)phenyl]phosphane?
The IUPAC name of [4-(piperazin-1-ylmethyl)phenyl]phosphane (CID 21334669) is [4-(piperazin-1-ylmethyl)phenyl]phosphane.
What is the SMILES notation for [4-(piperazin-1-ylmethyl)phenyl]phosphane?
The canonical SMILES for [4-(piperazin-1-ylmethyl)phenyl]phosphane is Pc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of [4-(piperazin-1-ylmethyl)phenyl]phosphane?
The InChIKey is LNMXRBTUUAFZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2P/c14-11-3-1-10(2-4-11)9-13-7-5-12-6-8-13/h1-4,12H,5-9,14H2.
What are the key properties of [4-(piperazin-1-ylmethyl)phenyl]phosphane?
[4-(piperazin-1-ylmethyl)phenyl]phosphane has a molecular weight of 208.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperazin-1-ylmethyl)phenyl]phosphane is sourced from PubChem (CID 21334669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).