N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine

C12H23ClN2 — CID 115901349

IUPACN-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESC=C(Cl)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C12H23ClN2/c1-10(2)9-15-6-4-12(5-7-15)14-8-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyJYTAGOBNDBUITE-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.45
Rot. Bonds5

About N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine

N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 115901349) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID115901349
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC NameN-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESC=C(Cl)CNC1CCN(CC(C)C)CC1
InChIInChI=1S/C12H23ClN2/c1-10(2)9-15-6-4-12(5-7-15)14-8-11(3)13/h10,12,14H,3-9H2,1-2H3
InChIKeyJYTAGOBNDBUITE-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine 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-(2-bromoprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115717138
N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 115574695
1-(2-methylpropyl)-N-prop-2-enylpiperidin-4-amine
CID 102613965
ethyl 2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetate
CID 107094633
N,N-diethyl-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]acetamide
CID 103779036
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103640946
N-buta-1,3-dien-2-yl-1-(2-methylpropyl)piperidin-4-amine
CID 144655866
N-but-2-ynyl-1-(2-methylpropyl)piperidin-4-amine
CID 115901593
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-4-amine;hydrochloride
CID 115607087
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine (CID 115901349) is N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine is C=C(Cl)CNC1CCN(CC(C)C)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is JYTAGOBNDBUITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c1-10(2)9-15-6-4-12(5-7-15)14-8-11(3)13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 230.78 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 115901349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).