1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine

C10H19ClN2 — CID 130505353

IUPAC1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine
SMILESC=C(Cl)CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C10H19ClN2/c1-8(11)6-13-5-4-9(12)10(2,3)7-13/h9H,1,4-7,12H2,2-3H3
InChIKeyYIPCLOLHFYSDOJ-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.80
Rot. Bonds2

About 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine

1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine (PubChem CID 130505353) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine
PubChem CID130505353
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine
SMILESC=C(Cl)CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C10H19ClN2/c1-8(11)6-13-5-4-9(12)10(2,3)7-13/h9H,1,4-7,12H2,2-3H3
InChIKeyYIPCLOLHFYSDOJ-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(cyclopropylmethyl)acetamide;hydrochloride
CID 120774150
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 120776462
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(cyclobutylmethyl)acetamide
CID 120774845
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 120775174
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 120774607
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
3,3-dimethyl-1-(oxan-4-ylmethyl)piperidin-4-amine
CID 120774849
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907
3-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclopentylpropanamide
CID 120775513
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 120774605

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine (CID 130505353) is 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine is C=C(Cl)CN1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is YIPCLOLHFYSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-8(11)6-13-5-4-9(12)10(2,3)7-13/h9H,1,4-7,12H2,2-3H3.
What are the key properties of 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine?
1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 202.73 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 130505353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).