N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline

C11H18N3OP — CID 130459860

IUPACN-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline
SMILESCNc1ccc(N2CCN(OP)CC2)cc1
InChIInChI=1S/C11H18N3OP/c1-12-10-2-4-11(5-3-10)13-6-8-14(15-16)9-7-13/h2-5,12H,6-9,16H2,1H3
InChIKeyWIZQNBJWAGVQJX-UHFFFAOYSA-N
MW239.26 g/mol
LogP1.57
Rot. Bonds3

About N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline

N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline (PubChem CID 130459860) has the molecular formula C11H18N3OP and a molecular weight of 239.26 g/mol. Its IUPAC name is N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline
PubChem CID130459860
Molecular FormulaC11H18N3OP
Molecular Weight239.26 g/mol
Exact Mass239.12
IUPAC NameN-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline
SMILESCNc1ccc(N2CCN(OP)CC2)cc1
InChIInChI=1S/C11H18N3OP/c1-12-10-2-4-11(5-3-10)13-6-8-14(15-16)9-7-13/h2-5,12H,6-9,16H2,1H3
InChIKeyWIZQNBJWAGVQJX-UHFFFAOYSA-N
XLogP1.57
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
CID 169149133
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)aniline
CID 177186212
tert-butyl N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]carbamate;N,N-dimethyl-1-[4-(methylamino)phenyl]piperidin-4-amine
CID 161481622
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
methyl 4-(4-acetamidophenyl)piperazine-1-carboxylate
CID 113078316
N-methyl-4-(2-propan-2-ylmorpholin-4-yl)aniline
CID 70840132
4-[4-(2-methoxyethoxy)piperidin-1-yl]-N-[4-[4-(methylamino)anilino]phenyl]benzamide
CID 139398297
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline?
The IUPAC name of N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline (CID 130459860) is N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline.
What is the SMILES notation for N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline?
The canonical SMILES for N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline is CNc1ccc(N2CCN(OP)CC2)cc1.
What is the InChIKey of N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline?
The InChIKey is WIZQNBJWAGVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3OP/c1-12-10-2-4-11(5-3-10)13-6-8-14(15-16)9-7-13/h2-5,12H,6-9,16H2,1H3.
What are the key properties of N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline?
N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline has a molecular weight of 239.26 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline is sourced from PubChem (CID 130459860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).