N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine

C11H21ClN2 — CID 115574695

IUPACN-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
SMILESC=C(Cl)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C11H21ClN2/c1-9(2)14-6-4-11(5-7-14)13-8-10(3)12/h9,11,13H,3-8H2,1-2H3
InChIKeySHFZUVVWNBQKKQ-UHFFFAOYSA-N
MW216.76 g/mol
LogP2.20
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine

N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 115574695) has the molecular formula C11H21ClN2 and a molecular weight of 216.76 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID115574695
Molecular FormulaC11H21ClN2
Molecular Weight216.76 g/mol
Exact Mass216.14
IUPAC NameN-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine
SMILESC=C(Cl)CNC1CCN(C(C)C)CC1
InChIInChI=1S/C11H21ClN2/c1-9(2)14-6-4-11(5-7-14)13-8-10(3)12/h9,11,13H,3-8H2,1-2H3
InChIKeySHFZUVVWNBQKKQ-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.76
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroprop-2-enyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115901349
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
N-[(2-methylcyclopropyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 115713087
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
N-ethyl-2-[(1-propan-2-ylazepan-4-yl)amino]acetamide
CID 65074642
1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103788055
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]butan-2-ol
CID 65107935
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N',N'-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 16773593

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine (CID 115574695) is N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine is C=C(Cl)CNC1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is SHFZUVVWNBQKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN2/c1-9(2)14-6-4-11(5-7-14)13-8-10(3)12/h9,11,13H,3-8H2,1-2H3.
What are the key properties of N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine?
N-(2-chloroprop-2-enyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 216.76 g/mol, XLogP of 2.20, 4 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-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 115574695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).