3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine

C12H23ClN2 — CID 106437656

IUPAC3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC(C)N1CCCCC1
InChIInChI=1S/C12H23ClN2/c1-11(8-13)9-14-10-12(2)15-6-4-3-5-7-15/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyCSYJRFDKXWFBDS-UHFFFAOYSA-N
MW230.78 g/mol
LogP2.59
Rot. Bonds5

About 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine

3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine (PubChem CID 106437656) has the molecular formula C12H23ClN2 and a molecular weight of 230.78 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine
PubChem CID106437656
Molecular FormulaC12H23ClN2
Molecular Weight230.78 g/mol
Exact Mass230.15
IUPAC Name3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine
SMILESCC(=CCl)CNCC(C)N1CCCCC1
InChIInChI=1S/C12H23ClN2/c1-11(8-13)9-14-10-12(2)15-6-4-3-5-7-15/h8,12,14H,3-7,9-10H2,1-2H3
InChIKeyCSYJRFDKXWFBDS-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-piperidin-1-ylpropylamino)but-2-enoic acid
CID 103246512
3-methyl-N-(2-piperidin-1-ylpropyl)but-2-en-1-amine
CID 106547014
2-methyl-4-(2-piperidin-1-ylpropylamino)butan-2-ol
CID 79361764
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-(oxan-4-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 55066116
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
1-(4-piperidin-1-ylpentan-2-yl)piperidine
CID 174442116
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
methyl 2,2-dimethyl-3-(2-piperidin-1-ylpropylamino)propanoate
CID 79623548
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
2-(2-piperidin-1-ylpropylamino)ethanesulfonamide
CID 114384890
5-methyl-N-(2-piperidin-1-ylpropyl)heptan-3-amine
CID 54899309

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine?
The IUPAC name of 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine (CID 106437656) is 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine?
The canonical SMILES for 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine is CC(=CCl)CNCC(C)N1CCCCC1.
What is the InChIKey of 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine?
The InChIKey is CSYJRFDKXWFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2/c1-11(8-13)9-14-10-12(2)15-6-4-3-5-7-15/h8,12,14H,3-7,9-10H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine?
3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine has a molecular weight of 230.78 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-piperidin-1-ylpropyl)prop-2-en-1-amine is sourced from PubChem (CID 106437656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).