N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline

C14H19ClN2 — CID 103791977

IUPACN-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline
SMILESCl/C=C/CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H19ClN2/c15-9-4-10-16-13-5-7-14(8-6-13)17-11-2-1-3-12-17/h4-9,16H,1-3,10-12H2/b9-4+
InChIKeyOFGKSYLBMOIIQE-RUDMXATFSA-N
MW250.77 g/mol
LogP3.84
Rot. Bonds4

About N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline

N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline (PubChem CID 103791977) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline
PubChem CID103791977
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC NameN-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline
SMILESCl/C=C/CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H19ClN2/c15-9-4-10-16-13-5-7-14(8-6-13)17-11-2-1-3-12-17/h4-9,16H,1-3,10-12H2/b9-4+
InChIKeyOFGKSYLBMOIIQE-RUDMXATFSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-heptyl-4-piperidin-1-ylaniline
CID 43715656

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline (CID 103791977) is N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline is Cl/C=C/CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline?
The InChIKey is OFGKSYLBMOIIQE-RUDMXATFSA-N. The full InChI is InChI=1S/C14H19ClN2/c15-9-4-10-16-13-5-7-14(8-6-13)17-11-2-1-3-12-17/h4-9,16H,1-3,10-12H2/b9-4+.
What are the key properties of N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline?
N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline has a molecular weight of 250.77 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-chloroprop-2-enyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 103791977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).