2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine

C10H18Cl2N2 — CID 79717089

IUPAC2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
SMILESCN(CC(Cl)=CCl)CC1CCNCC1
InChIInChI=1S/C10H18Cl2N2/c1-14(8-10(12)6-11)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyAETMFGLDNDEZNK-UHFFFAOYSA-N
MW237.17 g/mol
LogP2.24
Rot. Bonds4

About 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine

2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine (PubChem CID 79717089) has the molecular formula C10H18Cl2N2 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
PubChem CID79717089
Molecular FormulaC10H18Cl2N2
Molecular Weight237.17 g/mol
Exact Mass236.08
IUPAC Name2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
SMILESCN(CC(Cl)=CCl)CC1CCNCC1
InChIInChI=1S/C10H18Cl2N2/c1-14(8-10(12)6-11)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7-8H2,1H3
InChIKeyAETMFGLDNDEZNK-UHFFFAOYSA-N
XLogP2.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79717112
N-cyclopentyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717424
N-cyclopropyl-N-methyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79716361
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
2-[methyl(piperidin-4-ylmethyl)amino]-N-(oxan-4-yl)acetamide
CID 79716602
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
azane;N,N-dimethyl-1-piperidin-4-ylmethanamine
CID 175907731
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996
N-[(4-chlorophenyl)methyl]-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703063
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-methyl-N-(piperidin-4-ylmethyl)pent-4-en-1-amine
CID 79716294
N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79720456

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine (CID 79717089) is 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine is CN(CC(Cl)=CCl)CC1CCNCC1.
What is the InChIKey of 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
The InChIKey is AETMFGLDNDEZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18Cl2N2/c1-14(8-10(12)6-11)7-9-2-4-13-5-3-9/h6,9,13H,2-5,7-8H2,1H3.
What are the key properties of 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine?
2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine has a molecular weight of 237.17 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-methyl-N-(piperidin-4-ylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 79717089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).