(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine

C11H15Cl2N3 — CID 102985057

IUPAC(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c12-9-3-4-11(13)15-10(9)7-16-5-1-2-8(14)6-16/h3-4,8H,1-2,5-7,14H2/t8-/m1/s1
InChIKeyKYARCCFVTQFKIK-MRVPVSSYSA-N
MW260.17 g/mol
LogP2.31
Rot. Bonds2

About (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine

(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine (PubChem CID 102985057) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
PubChem CID102985057
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine
SMILESN[C@@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H15Cl2N3/c12-9-3-4-11(13)15-10(9)7-16-5-1-2-8(14)6-16/h3-4,8H,1-2,5-7,14H2/t8-/m1/s1
InChIKeyKYARCCFVTQFKIK-MRVPVSSYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 94889758
3,6-dichloro-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 62995997
3,6-dichloro-2-[(3-propoxypiperidin-1-yl)methyl]pyridine
CID 55127726
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103
methyl 1-[(3,6-dichloro-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 113330922
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104975594
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
4-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]morpholine
CID 63169707
3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
CID 62891492
1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-amine
CID 61295551
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
5-chloro-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 63010267

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine?
The IUPAC name of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine (CID 102985057) is (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine?
The canonical SMILES for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine is N[C@@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1.
What is the InChIKey of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine?
The InChIKey is KYARCCFVTQFKIK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c12-9-3-4-11(13)15-10(9)7-16-5-1-2-8(14)6-16/h3-4,8H,1-2,5-7,14H2/t8-/m1/s1.
What are the key properties of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine?
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine has a molecular weight of 260.17 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]piperidin-3-amine is sourced from PubChem (CID 102985057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).