(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine

C12H18BrN3 — CID 71641689

IUPAC(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1ccc(Br)nc1)[C@H]1CCCNC1
InChIInChI=1S/C12H18BrN3/c1-16(11-3-2-6-14-8-11)9-10-4-5-12(13)15-7-10/h4-5,7,11,14H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyNKLRNCFOUIFDSB-NSHDSACASA-N
MW284.20 g/mol
LogP2.03
Rot. Bonds3

About (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine

(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 71641689) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
PubChem CID71641689
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
SMILESCN(Cc1ccc(Br)nc1)[C@H]1CCCNC1
InChIInChI=1S/C12H18BrN3/c1-16(11-3-2-6-14-8-11)9-10-4-5-12(13)15-7-10/h4-5,7,11,14H,2-3,6,8-9H2,1H3/t11-/m0/s1
InChIKeyNKLRNCFOUIFDSB-NSHDSACASA-N
XLogP2.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.03
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)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
N-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 103572294
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine
CID 63644109
N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643681
N-methyl-N-(pyrazin-2-ylmethyl)piperidin-3-amine;hydrochloride
CID 71641763
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine (CID 71641689) is (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine is CN(Cc1ccc(Br)nc1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is NKLRNCFOUIFDSB-NSHDSACASA-N. The full InChI is InChI=1S/C12H18BrN3/c1-16(11-3-2-6-14-8-11)9-10-4-5-12(13)15-7-10/h4-5,7,11,14H,2-3,6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine?
(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 284.20 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 71641689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).