N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline

C14H22N4O — CID 89290079

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline
SMILESCN1CCN(CCCNc2ccc(N=O)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-9-11-18(12-10-17)8-2-7-15-13-3-5-14(16-19)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeyKWRFZMWNQTXDPI-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.13
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline

N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline (PubChem CID 89290079) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline
PubChem CID89290079
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline
SMILESCN1CCN(CCCNc2ccc(N=O)cc2)CC1
InChIInChI=1S/C14H22N4O/c1-17-9-11-18(12-10-17)8-2-7-15-13-3-5-14(16-19)6-4-13/h3-6,15H,2,7-12H2,1H3
InChIKeyKWRFZMWNQTXDPI-UHFFFAOYSA-N
XLogP2.13
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
1-[4-(butylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170862133
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 54961012
4-methylsulfonyl-N-(3-piperazin-1-ylpropyl)aniline
CID 43453302
3-N-methyl-1-N-[3-(4-methylpiperazin-1-yl)propyl]-4-(trifluoromethoxy)benzene-1,3-diamine
CID 59454325
6-[4-[3-(4-aminoanilino)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19011792
N-[3-(4-methylpiperazin-1-yl)propyl]-2-[2-[3-(4-methylpiperazin-1-yl)propylamino]phenyl]sulfanylaniline
CID 10601342
3-methanimidoyl-N-[3-(4-methylpiperazin-1-yl)propyl]aniline
CID 153231614
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propoxyaniline
CID 82888943
3-amino-4-[3-(4-methylpiperazin-1-yl)propylamino]chromen-2-one
CID 2836885
N-[3-(1,3-dihydroisoindol-2-yl)propyl]aniline
CID 62570411

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline (CID 89290079) is N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline is CN1CCN(CCCNc2ccc(N=O)cc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline?
The InChIKey is KWRFZMWNQTXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-9-11-18(12-10-17)8-2-7-15-13-3-5-14(16-19)6-4-13/h3-6,15H,2,7-12H2,1H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline?
N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline has a molecular weight of 262.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-4-nitrosoaniline is sourced from PubChem (CID 89290079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).