(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine

C10H14BrN3 — CID 104977557

IUPAC(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
SMILESC[C@H]1CN(c2ccncc2Br)CCN1
InChIInChI=1S/C10H14BrN3/c1-8-7-14(5-4-13-8)10-2-3-12-6-9(10)11/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyNXMCBWUXBAFDRJ-QMMMGPOBSA-N
MW256.15 g/mol
LogP1.64
Rot. Bonds1

About (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine

(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine (PubChem CID 104977557) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
PubChem CID104977557
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
SMILESC[C@H]1CN(c2ccncc2Br)CCN1
InChIInChI=1S/C10H14BrN3/c1-8-7-14(5-4-13-8)10-2-3-12-6-9(10)11/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
InChIKeyNXMCBWUXBAFDRJ-QMMMGPOBSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-(3-methylpiperidin-1-yl)pyridine
CID 104777988
3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
CID 114682648
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
5-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 94873112
1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine
CID 131209516
3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 114412429
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
1-(3-bromo-2-pyridinyl)-3-methylpiperazine
CID 62478564
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
CID 104778046
(3aR,8aS)-6-(3-bromo-4-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine
CID 128843555
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490
6-(3-bromo-4-pyridinyl)-1,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 104778573

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine?
The IUPAC name of (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine (CID 104977557) is (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine.
What is the SMILES notation for (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine?
The canonical SMILES for (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine is C[C@H]1CN(c2ccncc2Br)CCN1.
What is the InChIKey of (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine?
The InChIKey is NXMCBWUXBAFDRJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-8-7-14(5-4-13-8)10-2-3-12-6-9(10)11/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine?
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine has a molecular weight of 256.15 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine is sourced from PubChem (CID 104977557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).