(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine

C12H18ClN3 — CID 94476054

IUPAC(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C12H18ClN3/c1-14-11-3-2-6-16(9-11)8-10-4-5-12(13)15-7-10/h4-5,7,11,14H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyXQAPNXODRNBAJZ-LLVKDONJSA-N
MW239.75 g/mol
LogP1.92
Rot. Bonds3

About (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine

(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 94476054) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
PubChem CID94476054
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1
InChIInChI=1S/C12H18ClN3/c1-14-11-3-2-6-16(9-11)8-10-4-5-12(13)15-7-10/h4-5,7,11,14H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyXQAPNXODRNBAJZ-LLVKDONJSA-N
XLogP1.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 51.92
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

N-[[1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241569
2-[(6-chloro-3-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 62112327
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 172893095
1-(furan-3-ylmethyl)-N-methylpiperidin-3-amine
CID 63208656
N-[2-[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]ethyl]methanesulfonamide
CID 95202887
1-[(6-chloro-3-pyridinyl)methyl]-4-methylpiperidin-3-ol
CID 103898564
tert-butyl N-[(3R)-1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]carbamate
CID 71629138
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
tert-butyl N-[[(3S)-1-[(6-chloro-3-pyridinyl)methyl]piperidin-3-yl]methyl]carbamate
CID 95044081

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine (CID 94476054) is (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine is CN[C@@H]1CCCN(Cc2ccc(Cl)nc2)C1.
What is the InChIKey of (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is XQAPNXODRNBAJZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-14-11-3-2-6-16(9-11)8-10-4-5-12(13)15-7-10/h4-5,7,11,14H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 239.75 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 94476054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).