(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine

C9H17ClN2 — CID 106439538

IUPAC(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
SMILESCC(=CCl)CN1CCC[C@@H](N)C1
InChIInChI=1S/C9H17ClN2/c1-8(5-10)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7,11H2,1H3/t9-/m1/s1
InChIKeyGGOMFEYJIIBJHH-SECBINFHSA-N
MW188.70 g/mol
LogP1.55
Rot. Bonds2

About (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine

(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine (PubChem CID 106439538) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
PubChem CID106439538
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
SMILESCC(=CCl)CN1CCC[C@@H](N)C1
InChIInChI=1S/C9H17ClN2/c1-8(5-10)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7,11H2,1H3/t9-/m1/s1
InChIKeyGGOMFEYJIIBJHH-SECBINFHSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439945
1-(3-chloro-2-methylprop-2-enyl)piperidin-3-ol
CID 106439835
4-(3-aminopiperidin-1-yl)-3-methylbut-2-enoic acid
CID 77006059
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 106438729
3-(2-chloroethyl)-1-(3-chloro-2-methylprop-2-enyl)pyrrolidine
CID 106440086
1-(2-methylidenebutyl)piperidin-3-amine
CID 66047170
4-chloro-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439936
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 102984754
(2R)-1-[(3R)-3-aminopiperidin-1-yl]propan-2-ol
CID 106933676
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
2-(3-aminopiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 61296110

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine (CID 106439538) is (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine is CC(=CCl)CN1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine?
The InChIKey is GGOMFEYJIIBJHH-SECBINFHSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-8(5-10)6-12-4-2-3-9(11)7-12/h5,9H,2-4,6-7,11H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine?
(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine has a molecular weight of 188.70 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine is sourced from PubChem (CID 106439538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).