1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol

C14H22BrN3O — CID 125138255

IUPAC1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESC[C@H]1CN(c2ccc(Br)cn2)CCN1CC(C)(C)O
InChIInChI=1S/C14H22BrN3O/c1-11-9-17(13-5-4-12(15)8-16-13)6-7-18(11)10-14(2,3)19/h4-5,8,11,19H,6-7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyORFMONLKRNTBAP-NSHDSACASA-N
MW328.25 g/mol
LogP2.13
Rot. Bonds3

About 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol

1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 125138255) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
PubChem CID125138255
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol
SMILESC[C@H]1CN(c2ccc(Br)cn2)CCN1CC(C)(C)O
InChIInChI=1S/C14H22BrN3O/c1-11-9-17(13-5-4-12(15)8-16-13)6-7-18(11)10-14(2,3)19/h4-5,8,11,19H,6-7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyORFMONLKRNTBAP-NSHDSACASA-N
XLogP2.13
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(3-methylpyrrolidin-1-yl)pyridine
CID 61374335
3-(5-bromo-2-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79098403
[1-(5-bromo-2-pyridinyl)-4-methylpiperidin-3-yl]methanamine
CID 114961588
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
[(3S)-1-(5-bromo-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407883
(3R)-1-(5-bromo-2-pyridinyl)-N,N-dicyclopropylpyrrolidin-3-amine
CID 66674145
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133431532
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80631815
methyl 2-[1-(5-bromo-2-pyridinyl)piperidin-3-yl]-2-methylpropanoate
CID 133444478
tert-butyl N-[1-(5-bromo-2-pyridinyl)azetidin-3-yl]carbamate
CID 172529779
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol (CID 125138255) is 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol is C[C@H]1CN(c2ccc(Br)cn2)CCN1CC(C)(C)O.
What is the InChIKey of 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is ORFMONLKRNTBAP-NSHDSACASA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-11-9-17(13-5-4-12(15)8-16-13)6-7-18(11)10-14(2,3)19/h4-5,8,11,19H,6-7,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol?
1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 328.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(5-bromo-2-pyridinyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 125138255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).