(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride

C12H19BrClN3 — CID 71641627

IUPAC(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCN(Cc1ccnc(Br)c1)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C12H18BrN3.ClH/c1-16(11-3-2-5-14-8-11)9-10-4-6-15-12(13)7-10;/h4,6-7,11,14H,2-3,5,8-9H2,1H3;1H/t11-;/m1./s1
InChIKeyYBFLNDUBSQMASN-RFVHGSKJSA-N
MW320.66 g/mol
LogP2.45
Rot. Bonds3

About (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride

(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 71641627) has the molecular formula C12H19BrClN3 and a molecular weight of 320.66 g/mol. Its IUPAC name is (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID71641627
Molecular FormulaC12H19BrClN3
Molecular Weight320.66 g/mol
Exact Mass319.05
IUPAC Name(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCN(Cc1ccnc(Br)c1)[C@@H]1CCCNC1.Cl
InChIInChI=1S/C12H18BrN3.ClH/c1-16(11-3-2-5-14-8-11)9-10-4-6-15-12(13)7-10;/h4,6-7,11,14H,2-3,5,8-9H2,1H3;1H/t11-;/m1./s1
InChIKeyYBFLNDUBSQMASN-RFVHGSKJSA-N
XLogP2.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 52.45
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-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 97164520
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 71642200
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611
(3S)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 71641689
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
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
N-[(2-bromo-4-pyridinyl)methyl]-N-methyl-1-[(2R)-piperidin-2-yl]methanamine
CID 97164232
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 71641627) is (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride is CN(Cc1ccnc(Br)c1)[C@@H]1CCCNC1.Cl.
What is the InChIKey of (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is YBFLNDUBSQMASN-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18BrN3.ClH/c1-16(11-3-2-5-14-8-11)9-10-4-6-15-12(13)7-10;/h4,6-7,11,14H,2-3,5,8-9H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 320.66 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 71641627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).